Geometry & MOs

Info

ID:	213319
PubChem CID:	81063445
Reduced:	N2O3C14H16 (1)
Stoich.:	A2B3C14D16 (1)
Weight, g/mol:	283.116821
ΔH_f, kcal/mol:	-104.07
Dipole, Da:	4.86
IP(EA), eV:	-8.87(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(1-ethyl-4-nitropyrrole-2-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CC(CC(=O)O)CNC(=O)C1=CNC2=CC=CC=C21

DOS

IR

Vibrations