Geometry & MOs

Info

ID:	197106
PubChem CID:	78921942
Reduced:	ClNO3C15H16 (1)
Stoich.:	ABC3D15E16 (1)
Weight, g/mol:	268.178693
ΔH_f, kcal/mol:	-114.66
Dipole, Da:	6.53
IP(EA), eV:	-9.65(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-[cyclopropyl(3-methylbutyl)carbamoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C=CC(=O)N2CCC[C@@H]2C(=O)O)Cl

DOS

IR

Vibrations