Geometry & MOs

Info

ID:	412368
PubChem CID:	135085258
Reduced:	MnN2O2C28H38 (1)
Stoich.:	AB2C2D28E38 (1)
Weight, g/mol:	209.91908
ΔH_f, kcal/mol:	-7.95
Dipole, Da:	4.14
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.952416
Charge, e:	0

Chem-info

IUPAC name:

palladium;phosphane;dihydrate

Drug info:

PubChemData

Smile

CC(C1=C/C(=C/N[C@H]2[C@@H](CCCC2)N/C=C/3\C(=O)C=CC(=C3)C(C)(C)C)/C(=O)C=C1)(C)C.[Mn+3]

DOS

IR

Vibrations