Geometry & MOs

Info

ID:	213455
PubChem CID:	81063789
Reduced:	NO4C15H21 (1)
Stoich.:	AB4C15D21 (1)
Weight, g/mol:	272.09277
ΔH_f, kcal/mol:	-176.01
Dipole, Da:	4.16
IP(EA), eV:	-8.9(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(4-chloro-1-ethylpyrrole-2-carbonyl)amino]-3-methylbutanoic acid

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)CC(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations