Geometry & MOs

Info

ID:	7950
PubChem CID:	74519
Reduced:	ClNOC13H16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	237.092042
ΔH_f, kcal/mol:	-47.84
Dipole, Da:	1.37
IP(EA), eV:	-8.59(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-5-chlorophenyl)-cyclohexylmethanone

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)C2=C(C=CC(=C2)Cl)N

DOS

IR

Vibrations