Geometry & MOs

Info

ID:	172011
PubChem CID:	75453636
Reduced:	N2O3C16H24 (1)
Stoich.:	A2B3C16D24 (1)
Weight, g/mol:	338.062675
ΔH_f, kcal/mol:	-110.02
Dipole, Da:	2.04
IP(EA), eV:	-8.56(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-cyano-1-methyl-N-[4-nitro-3-(trifluoromethyl)phenyl]pyrrole-2-carboxamide

Drug info:

PubChemData

Smile

CN(C)C(=O)OC1=CC=C(C=C1)OCCN2CCCCC2

DOS

IR

Vibrations