Geometry & MOs

Info

ID:	334821
PubChem CID:	127253496
Reduced:	O2N3C21H21 (1)
Stoich.:	A2B3C21D21 (1)
Weight, g/mol:	405.168856
ΔH_f, kcal/mol:	-9.9
Dipole, Da:	5.97
IP(EA), eV:	-8.34(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CCNC(=O)C3=CC4=C(N3)C=C(C=C4)OC

DOS

IR

Vibrations