Geometry & MOs

Info

ID:	37701
PubChem CID:	8023401
Reduced:	ClON4C22H25 (1)
Stoich.:	ABC4D22E25 (1)
Weight, g/mol:	311.079373
ΔH_f, kcal/mol:	8.41
Dipole, Da:	3.92
IP(EA), eV:	-8.48(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(1,3-benzodioxol-5-yl)-1-oxo-3,4-dihydroisochromene-3-carboxamide

Drug info:

PubChemData

Smile

CCN1CCN(CC1)C2=C(C=C(C=C2)Cl)NC(=O)CC3=CNC4=CC=CC=C43

DOS

IR

Vibrations