Geometry & MOs

Info

ID:	272015
PubChem CID:	103717046
Reduced:	SN2O2C15H22 (1)
Stoich.:	AB2C2D15E22 (1)
Weight, g/mol:	281.154642
ΔH_f, kcal/mol:	-7.09
Dipole, Da:	6.43
IP(EA), eV:	-8.61(-1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(3-chlorophenyl)propylamino]cyclohexyl]methanol

Drug info:

PubChemData

Smile

CC(C1=CC(=CC=C1)[N+](=O)[O-])NC2CCCC(C2)SC

DOS

IR

Vibrations