Geometry & MOs

Info

ID:	206324
PubChem CID:	80231757
Reduced:	NSC16H33 (1)
Stoich.:	ABC16D33 (1)
Weight, g/mol:	301.117021
ΔH_f, kcal/mol:	-56.21
Dipole, Da:	1.92
IP(EA), eV:	-8.53(0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-1-(3-methylsulfonylcyclohexyl)-1-(4-methylthiophen-3-yl)methanamine

Drug info:

PubChemData

Smile

CC1(CCC(CC1)N(C)CC(CS)C(C)(C)C)C

DOS

IR

Vibrations