Geometry & MOs

Info

ID:	235561
PubChem CID:	92710041
Reduced:	ON4C21H22 (1)
Stoich.:	AB4C21D22 (1)
Weight, g/mol:	250.112443
ΔH_f, kcal/mol:	43.38
Dipole, Da:	4.75
IP(EA), eV:	-8.31(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-chloro-1-(4-cyclohexylphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=C([C@@H](N2C3=CC=CC=C3N=C2N1)C4=CC=C(C=C4)N(C)C)C(=O)C

DOS

IR

Vibrations