Geometry & MOs

Info

ID:	30300
PubChem CID:	841107
Reduced:	ClNOC17H18 (1)
Stoich.:	ABCD17E18 (1)
Weight, g/mol:	287.107692
ΔH_f, kcal/mol:	-29.53
Dipole, Da:	4.12
IP(EA), eV:	-9.18(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)[C@@H](C)NC(=O)C2=CC=C(C=C2)Cl)C

DOS

IR

Vibrations