Geometry & MOs

Info

ID:	203607
PubChem CID:	79850390
Reduced:	SN2O2C12H20 (1)
Stoich.:	AB2C2D12E20 (1)
Weight, g/mol:	288.187149
ΔH_f, kcal/mol:	-72.8
Dipole, Da:	4.72
IP(EA), eV:	-9.2(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(aminomethyl)-3-cyclopropyl-N-methyl-N-(2-methylsulfonylethyl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)CN)N(C)CCS(=O)(=O)C

DOS

IR

Vibrations