Geometry & MOs

Info

ID:	271603
PubChem CID:	103685538
Reduced:	SN2O2C13H24 (1)
Stoich.:	AB2C2D13E24 (1)
Weight, g/mol:	236.13472
ΔH_f, kcal/mol:	-84.45
Dipole, Da:	2.5
IP(EA), eV:	-9.29(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-N-(pyridin-3-ylmethyl)cyclohexan-1-amine

Drug info:

PubChemData

Smile

CC(C)(C)C1=NC=C(S1)CNC(CCO)COC

DOS

IR

Vibrations