Geometry & MOs

Info

ID:	83486
PubChem CID:	49857649
Reduced:	ClO3C15H15 (1)
Stoich.:	AB3C15D15 (1)
Weight, g/mol:	313.123342
ΔH_f, kcal/mol:	-84.32
Dipole, Da:	2.31
IP(EA), eV:	-8.94(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-[(R)-anilino-(4-chlorophenyl)methyl]cyclohexan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OCC(COC2=CC=CC=C2Cl)O

DOS

IR

Vibrations