Geometry & MOs

Info

ID:	334970
PubChem CID:	127253776
Reduced:	N6O6C29H36 (1)
Stoich.:	A6B6C29D36 (1)
Weight, g/mol:	447.215806
ΔH_f, kcal/mol:	-76.49
Dipole, Da:	7.74
IP(EA), eV:	-8.71(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC[C@@H](C)[C@@H](C(=O)NC1=NC=NN1)NC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

DOS

IR

Vibrations