Geometry & MOs

Info

ID:

334731

PubChem CID:

127253406

Reduced:

N2O2C13H16 (3)

Stoich.:

A2B2C13D16 (3)

Weight, g/mol:

493.163771

ΔHf, kcal/mol:

-139.77

Dipole, Da:

5.0

IP(EA), eV:

 -8.38(-0.3)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-[2-(6,7-dimethoxy-2-methyl-4-oxoquinazolin-3-yl)ethyl]indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)N1CCN(CC1)C2=NC3=CC=CC=C3N2C)NC4=CC=C5C(=CC4=O)[C@H](CCC6=CC(=C(C(=C65)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations