Geometry & MOs

Info

ID:	213830
PubChem CID:	81065168
Reduced:	ClNO3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	266.163043
ΔH_f, kcal/mol:	-133.24
Dipole, Da:	2.89
IP(EA), eV:	-9.88(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[(1-propylpyrrole-2-carbonyl)amino]methyl]pentanoic acid

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)C1=CC(=CC=C1)Cl

DOS

IR

Vibrations