Geometry & MOs

Info

ID:	12821
PubChem CID:	146221
Reduced:	NO3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	195.089543
ΔH_f, kcal/mol:	-130.68
Dipole, Da:	11.63
IP(EA), eV:	-9.45(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-acetyl-5-methyl-1H-pyrrol-3-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CN1)CCC(=O)O)C(=O)C

DOS

IR

Vibrations