Geometry & MOs

Info

ID:	169417
PubChem CID:	75102463
Reduced:	ClON3C24H36 (1)
Stoich.:	ABC3D24E36 (1)
Weight, g/mol:	307.102
ΔH_f, kcal/mol:	-54.18
Dipole, Da:	3.82
IP(EA), eV:	-8.88(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-difluorophenyl)-1-oxo-3,4,4a,7,8,8a-hexahydroisochromene-8-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(CCC1)(C)C)CCNC2CC(N(C2)CC3=CC(=CC=C3)Cl)C(=O)NC

DOS

IR

Vibrations