Geometry & MOs

Info

ID:	51279
PubChem CID:	12013924
Reduced:	F2N3O4H23C29 (1)
Stoich.:	A2B3C4D23E29 (1)
Weight, g/mol:	303.147058
ΔH_f, kcal/mol:	-160.67
Dipole, Da:	3.38
IP(EA), eV:	-8.79(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dimethoxyphenyl)methyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)CN2C(=O)C3C4C(C5=C(C3C2=O)C6=C(N5)C=CC(=C6)F)NC7=C4C=C(C=C7)F)OC

DOS

IR

Vibrations