Geometry & MOs

Info

ID:	274915
PubChem CID:	103812502
Reduced:	SN2O2C12H18 (1)
Stoich.:	AB2C2D12E18 (1)
Weight, g/mol:	256.160935
ΔH_f, kcal/mol:	-61.93
Dipole, Da:	5.85
IP(EA), eV:	-8.71(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-(3-methylsulfanylcyclopentyl)cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CSC1CCC(C1)NC(=O)C2=CC=C(O2)CN

DOS

IR

Vibrations