Geometry & MOs

Info

ID:	236000
PubChem CID:	92711329
Reduced:	ClN2O2H15C17 (1)
Stoich.:	AB2C2D15E17 (1)
Weight, g/mol:	300.183778
ΔH_f, kcal/mol:	-48.7
Dipole, Da:	5.05
IP(EA), eV:	-8.91(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-cycloheptyl-2-oxo-1-phenylpyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(C(=O)[C@@H]1C(=O)NC2=CC=C(C=C2)Cl)C3=CC=CC=C3

DOS

IR

Vibrations