Geometry & MOs

Info

ID:	199946
PubChem CID:	79321901
Reduced:	N3O4C14H21 (1)
Stoich.:	A3B4C14D21 (1)
Weight, g/mol:	303.041069
ΔH_f, kcal/mol:	-151.32
Dipole, Da:	8.13
IP(EA), eV:	-8.95(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(3-chloro-4-cyanophenyl)carbamoyl]pyrrol-1-yl]acetic acid

Drug info:

PubChemData

Smile

C1COCCN1CCCNC(=O)C2=CC=CN2CC(=O)O

DOS

IR

Vibrations