Geometry & MOs

Info

ID:	264221
PubChem CID:	103443187
Reduced:	ClON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	251.107692
ΔH_f, kcal/mol:	27.62
Dipole, Da:	4.53
IP(EA), eV:	-9.38(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-chloropyridin-2-yl)-(3-ethylcyclohexyl)methanone

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CCC(=O)C2=C(C=CC=N2)Cl

DOS

IR

Vibrations