Geometry & MOs

Info

ID:	192234
PubChem CID:	78248179
Reduced:	FO2N4C18H22 (1)
Stoich.:	AB2C4D18E22 (1)
Weight, g/mol:	479.186336
ΔH_f, kcal/mol:	-67.28
Dipole, Da:	3.32
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.191871
Charge, e:	0

Chem-info

IUPAC name:

7-chloro-2-[2-(4-methoxyphenyl)ethyl]-6-methyl-1-(4-methylphenyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CN1C2C(=NC=[N+](C2=O)CCCN3CCOCC3)C4=C1C=CC(=C4)F

DOS

IR

Vibrations