Geometry & MOs

Info

ID:	274742
PubChem CID:	103811394
Reduced:	OSN3C11H19 (1)
Stoich.:	ABC3D11E19 (1)
Weight, g/mol:	224.188863
ΔH_f, kcal/mol:	-37.86
Dipole, Da:	1.78
IP(EA), eV:	-9.65(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-methylpentan-3-yl)-7-azabicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CCC(C)(CC)NC(=O)C1=CSC(=N1)CN

DOS

IR

Vibrations