Geometry & MOs

Info

ID:	202188
PubChem CID:	79640355
Reduced:	NOSC15H23 (1)
Stoich.:	ABCD15E23 (1)
Weight, g/mol:	282.267114
ΔH_f, kcal/mol:	-53.55
Dipole, Da:	2.72
IP(EA), eV:	-8.83(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(ethylamino)-3-[methyl-(3-methylcyclohexyl)amino]cyclohexyl]methanol

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CSC2CCCC(C2)(CO)N

DOS

IR

Vibrations