Geometry & MOs

Info

ID:	38827
PubChem CID:	8137996
Reduced:	NO2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	321.111341
ΔH_f, kcal/mol:	-119.82
Dipole, Da:	5.06
IP(EA), eV:	-9.67(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-(3-phenoxybenzoyl)-1H-pyrrole-2-carbohydrazide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)NCC(=O)O[C@@H](C2=CC=CC=C2)C(=O)NC3CC3

DOS

IR

Vibrations