Geometry & MOs

Info

ID:	136942
PubChem CID:	52126812
Reduced:	ClON4C17H24 (1)
Stoich.:	ABC4D17E24 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	54.72
Dipole, Da:	3.57
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752321
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(2S)-1-[2-(2-methylbenzoyl)hydrazinyl]-1-oxopropan-2-yl]-3-phenylprop-2-enamide

Drug info:

PubChemData

Smile

CCCC[NH+]1CCN(CC1)CC2=NC(=NO2)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations