Geometry & MOs

Info

ID:	409982
PubChem CID:	135082769
Reduced:	N4Si6O42C235H310 (1)
Stoich.:	A4B6C42D235E310 (1)
Weight, g/mol:	674.14468
ΔH_f, kcal/mol:	-1912.06
Dipole, Da:	22.31
IP(EA), eV:	-8.45(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dichloropalladium;4-(4-pentylphenyl)benzonitrile

Drug info:

Smile

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OC(=O)C4=C(C=C(C=C4)OCC(C)CC)OCCCCCOC(=O)CCOCC(COCCC(=O)OCCCCCOC5=C(C=CC(=C5)OCC(C)CC)C(=O)OC6=CC=C(C=C6)C(=O)OC7=CC=C(C=C7)C8=CC=C(C=C8)OCCCCCCCC)(COCCC(=O)OCCCCCOC9=C(C=CC(=C9)OCC(C)CC)C(=O)OC1=CC=C(C=C1)C(=O)OC1=CC=C(C=C1)C1=CC=C(C=C1)OCCCCCCCC)NC(=O)CCCC(=O)OCC(COCCCCC[Si](C)(C)O[Si](C)(C)CCCCCOC1=CC=C(C=C1)C1=CC=C(C=C1)C#N)(COCCCCC[Si](C)(C)O[Si](C)(C)CCCCCOC1=CC=C(C=C1)C1=CC=C(C=C1)C#N)OCCCCC[Si](C)(C)O[Si](C)(C)CCCCCOC1=CC=C(C=C1)C1=CC=C(C=C1)C#N

DOS

IR

Vibrations