Geometry & MOs

Info

ID:	386968
PubChem CID:	134983539
Reduced:	Si2O7C58H98 (1)
Stoich.:	A2B7C58D98 (1)
Weight, g/mol:	216.151415
ΔH_f, kcal/mol:	-455.09
Dipole, Da:	3.52
IP(EA), eV:	-8.59(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-2-[(1E,3E)-octa-1,3-dienyl]benzene

Drug info:

Smile

C[C@H](C/C=C/[C@@H](C)[C@H](C[C@H](C[C@@]1(CC[C@@](O1)(C)[C@H]2CC[C@@](O2)(C)[C@@H](C)O[Si](C)(C)C(C)(C)C)C)OC(=O)C3=CC=CC=C3)[Si](C(C)C)(C(C)C)C(C)C)C[C@@H](C)COCC4=CC=C(C=C4)OC

DOS

IR

Vibrations