Geometry & MOs

Info

ID:	38874
PubChem CID:	8138092
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	288.085855
ΔH_f, kcal/mol:	-66.72
Dipole, Da:	2.9
IP(EA), eV:	-9.06(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-(4-nitrophenyl)acetyl]-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)C(=O)NNC(=O)C2=CC=CN2

DOS

IR

Vibrations