Geometry & MOs

Info

ID:

334609

PubChem CID:

127253284

Reduced:

NO5H21C23 (1)

Stoich.:

AB5C21D23 (1)

Weight, g/mol:

599.201613

ΔHf, kcal/mol:

-126.53

Dipole, Da:

4.1

IP(EA), eV:

 -8.38(-1.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

9,10-dimethoxy-6-[3-[(1S,9R)-5-nitro-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]-3-oxopropyl]-6aH-isoindolo[2,3-a]quinazoline-5,11-dione

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CC5CCCO5)OC

DOS

IR

Vibrations