Geometry & MOs

Info

ID:	213223
PubChem CID:	81063198
Reduced:	NO5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	238.131742
ΔH_f, kcal/mol:	-197.35
Dipole, Da:	3.75
IP(EA), eV:	-9.06(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC(=O)O)CNC(=O)COC1=CC=CC=C1OC

DOS

IR

Vibrations