Geometry & MOs

Info

ID:	169422
PubChem CID:	75103021
Reduced:	NO5C19H21 (1)
Stoich.:	AB5C19D21 (1)
Weight, g/mol:	285.136493
ΔH_f, kcal/mol:	-142.2
Dipole, Da:	5.86
IP(EA), eV:	-9.2(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-benzyl-1-oxo-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2CC=CC3C2C(=O)OCC3

DOS

IR

Vibrations