Geometry & MOs

Info

ID:	335056
PubChem CID:	127253862
Reduced:	N3O5C22H25 (1)
Stoich.:	A3B5C22D25 (1)
Weight, g/mol:	412.142307
ΔH_f, kcal/mol:	-165.54
Dipole, Da:	4.1
IP(EA), eV:	-8.6(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC=C(C=C3)OC)O

DOS

IR

Vibrations