Geometry & MOs

Info

ID:	165427
PubChem CID:	74548496
Reduced:	FON4C21H30 (1)
Stoich.:	ABC4D21E30 (1)
Weight, g/mol:	356.11207
ΔH_f, kcal/mol:	-6.34
Dipole, Da:	2.18
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753565
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(4-hydroxybenzoyl)hydrazinyl]-N-(4-nitrophenyl)but-2-enamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC2=CN(N=C2)C3=CC=CC=C3F)[NH+]4CCC(CC4)CO

DOS

IR

Vibrations