Geometry & MOs

Info

ID:	342506
PubChem CID:	127265661
Reduced:	NO3C17H21 (1)
Stoich.:	AB3C17D21 (1)
Weight, g/mol:	211.120843
ΔH_f, kcal/mol:	-102.41
Dipole, Da:	9.05
IP(EA), eV:	-8.91(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methyl-1-(2-methylbut-2-enoyl)pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(=CC(=O)NC1=CC=C(C=C1)C(C)(C)C(=O)O)C2CC2

DOS

IR

Vibrations