Geometry & MOs

Info

ID:	213142
PubChem CID:	81062992
Reduced:	NO3C14H19 (1)
Stoich.:	AB3C14D19 (1)
Weight, g/mol:	286.10842
ΔH_f, kcal/mol:	-139.17
Dipole, Da:	4.3
IP(EA), eV:	-9.5(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC(=O)NCC(C)CC(=O)O

DOS

IR

Vibrations