Geometry & MOs

Info

ID:	38829
PubChem CID:	8138003
Reduced:	NO2C12H14 (2)
Stoich.:	AB2C12D14 (2)
Weight, g/mol:	311.088161
ΔH_f, kcal/mol:	-123.41
Dipole, Da:	5.09
IP(EA), eV:	-9.57(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2-[3-(trifluoromethyl)phenyl]acetyl]-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