Geometry & MOs

Info

ID:	131793
PubChem CID:	51262000
Reduced:	SN4O4H16C17 (1)
Stoich.:	AB4C4D16E17 (1)
Weight, g/mol:	301.131408
ΔH_f, kcal/mol:	-76.56
Dipole, Da:	10.42
IP(EA), eV:	-9.62(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(6-acetyl-1,3-benzodioxol-5-yl)bicyclo[2.2.1]heptane-2-carboxamide

Drug info:

PubChemData

Smile

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCN2C(=O)C3=CC=CC=C3N=N2

DOS

IR

Vibrations