Geometry & MOs

Info

ID:	30776
PubChem CID:	841856
Reduced:	ClNOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	237.092042
ΔH_f, kcal/mol:	-31.14
Dipole, Da:	1.23
IP(EA), eV:	-9.45(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,2R)-N-[2-(4-chlorophenyl)ethyl]-2-methylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

C[C@H]1C[C@H]1C(=O)NCCC2=CC=C(C=C2)Cl

DOS

IR

Vibrations