Geometry & MOs

Info

ID:	274838
PubChem CID:	103811957
Reduced:	OSN2C12H22 (1)
Stoich.:	ABC2D12E22 (1)
Weight, g/mol:	282.176585
ΔH_f, kcal/mol:	-56.81
Dipole, Da:	4.8
IP(EA), eV:	-8.54(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(3-methylsulfanylcyclohexyl)bicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CSC1CCCC(C1)NC(=O)CC2CNC2

DOS

IR

Vibrations