Geometry & MOs

Info

ID:	192801
PubChem CID:	78313367
Reduced:	N3O6C24H35 (1)
Stoich.:	A3B6C24D35 (1)
Weight, g/mol:	299.152144
ΔH_f, kcal/mol:	-238.59
Dipole, Da:	8.87
IP(EA), eV:	-9.6(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-(3-methylphenyl)-1-oxo-4a,5,6,7,8,8a-hexahydroisochromene-4-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC2C(=NC(=O)N(C2=O)CC3CCC(CC3)C(=O)NCCCOC)C=C1OCC

DOS

IR

Vibrations