Geometry & MOs

Info

ID:

334632

PubChem CID:

127253307

Reduced:

N4O7C39H46 (1)

Stoich.:

A4B7C39D46 (1)

Weight, g/mol:

455.136887

ΔHf, kcal/mol:

-190.7

Dipole, Da:

3.16

IP(EA), eV:

 -8.55(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-3,4-dimethoxyindeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)N1CCC(CC1)C2=NC3=CC=CC=C3O2)NC4=CC=C5C(=CC4=O)[C@H](CCC6=CC(=C(C(=C65)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations