Geometry & MOs

Info

ID:	151759
PubChem CID:	56310509
Reduced:	N3O5C26H29 (1)
Stoich.:	A3B5C26D29 (1)
Weight, g/mol:	439.185569
ΔH_f, kcal/mol:	-169.0
Dipole, Da:	10.25
IP(EA), eV:	-9.14(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[4-[2-(2-methylphenyl)acetyl]piperazin-1-yl]acetyl]-3-nitrobenzohydrazide

Drug info:

PubChemData

Smile

CCOC(=O)NC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCN(CC3)C(=O)CC4=CC=CC=C4C

DOS

IR

Vibrations