Geometry & MOs

Info

ID:	335173
PubChem CID:	127254034
Reduced:	N3O6C22H25 (1)
Stoich.:	A3B6C22D25 (1)
Weight, g/mol:	438.132805
ΔH_f, kcal/mol:	-133.94
Dipole, Da:	13.58
IP(EA), eV:	-8.38(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-6-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC(=O)N2C[C@@H]3C[C@H](C2)C4=CC=C(C(=O)N4C3)[N+](=O)[O-])OC

DOS

IR

Vibrations