Geometry & MOs

Info

ID:	408539
PubChem CID:	135081305
Reduced:	NiC7H10 (1)
Stoich.:	AB7C10 (1)
Weight, g/mol:	844.058127
ΔH_f, kcal/mol:	130.29
Dipole, Da:	1.55
IP(EA), eV:	-8.34(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dichloroiron;N-(2,6-dimethylphenyl)-1-[6-[4-[6-[N-(2,6-dimethylphenyl)-C-methylcarbonimidoyl]pyridin-2-yl]-3H-1,5-benzodiazepin-2-yl]-2,3-dihydropyridin-2-yl]ethanimine

Drug info:

PubChemData

Smile

C=C.C1=C[CH]C=C1.[NiH]

DOS

IR

Vibrations