Geometry & MOs

Info

ID:	214390
PubChem CID:	84981830
Reduced:	O3N4C23H31 (1)
Stoich.:	A3B4C23D31 (1)
Weight, g/mol:	390.134635
ΔH_f, kcal/mol:	-78.22
Dipole, Da:	4.06
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752338
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-chlorophenyl)-3-methylbutanoyl]-3,5-dimethoxybenzohydrazide

Drug info:

PubChemData

Smile

CC[NH+]1CCN(CC1)C2=CC=C(C=C2)NC(=O)CCN3C(=O)C4CC=CCC4C3=O

DOS

IR

Vibrations