Geometry & MOs

Info

ID:	151172
PubChem CID:	53790872
Reduced:	O2N11C16H36 (1)
Stoich.:	A2B11C16D36 (1)
Weight, g/mol:	605.292139
ΔH_f, kcal/mol:	-14.97
Dipole, Da:	3.97
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752509
Charge, e:	0

Chem-info

IUPAC name:

N'-[amino-[1-(4-propylphenyl)-6-(pyridin-4-ylmethyl)-2H-pyridin-4-yl]methyl]-3-chloro-N-(4-propylphenyl)benzohydrazide

Drug info:

PubChemData

Smile

CC[N+]([C@@H](CCCN=C(N)N)C=O)(C(=O)[C@H](CCCCN=C(N)N)N)N=C(N)N

DOS

IR

Vibrations