Geometry & MOs

Info

ID:	287682
PubChem CID:	104251690
Reduced:	ON2C16H20 (1)
Stoich.:	AB2C16D20 (1)
Weight, g/mol:	303.186815
ΔH_f, kcal/mol:	-12.04
Dipole, Da:	1.79
IP(EA), eV:	-9.25(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(3-methylsulfonylcyclohexyl)-2-(oxan-2-yl)ethanamine

Drug info:

PubChemData

Smile

C1CCOC(C1)CC(C2=CC=CC3=C2C=CN=C3)N

DOS

IR

Vibrations