Geometry & MOs

Info

ID:

165277

PubChem CID:

74525696

Reduced:

N3O7C25H29 (1)

Stoich.:

A3B7C25D29 (1)

Weight, g/mol:

512.288637

ΔHf, kcal/mol:

-127.76

Dipole, Da:

13.16

IP(EA), eV:

 -8.13(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-(3,4-diethoxyphenyl)-7-methyl-2-(3-morpholin-4-ylpropyl)-4a,5,6,7,8,8a-hexahydro-1H-chromeno[2,3-c]pyrrole-3,9-dione

Drug info:

PubChemData

Smile

CC[NH+](CC)CCN1C(C(=C(C2=CC(=C(C=C2)OC)OC)[O-])C(=O)C1=O)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations