Geometry & MOs

Info

ID:	264231
PubChem CID:	103444183
Reduced:	ClN2C17H29 (1)
Stoich.:	AB2C17D29 (1)
Weight, g/mol:	330.116877
ΔH_f, kcal/mol:	-26.2
Dipole, Da:	1.73
IP(EA), eV:	-8.92(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloropyridin-2-yl)-(3-methylsulfonylcyclohexyl)methyl]ethanamine

Drug info:

PubChemData

Smile

CCCCCCCCCCC(C1=C(C=CC=N1)Cl)NC

DOS

IR

Vibrations