Geometry & MOs

Info

ID:	62212
PubChem CID:	26718247
Reduced:	N4O6H20C21 (1)
Stoich.:	A4B6C20D21 (1)
Weight, g/mol:	418.164105
ΔH_f, kcal/mol:	-58.14
Dipole, Da:	4.11
IP(EA), eV:	-9.1(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]-2-pyrrol-1-ylbenzohydrazide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)[N+](=O)[O-])C(=O)NNC(=O)C2=CC=CC=C2N3C=CC=C3)OC

DOS

IR

Vibrations