Geometry & MOs

Info

ID:	235562
PubChem CID:	92710042
Reduced:	ClOC15H19 (1)
Stoich.:	ABC15D19 (1)
Weight, g/mol:	250.112443
ΔH_f, kcal/mol:	-51.61
Dipole, Da:	4.38
IP(EA), eV:	-9.66(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@H](C(=O)C1=CC=C(C=C1)C2CCCCC2)Cl

DOS

IR

Vibrations