Geometry & MOs

Info

ID:	82802
PubChem CID:	49856564
Reduced:	SiN2O8C30H40 (1)
Stoich.:	AB2C8D30E40 (1)
Weight, g/mol:	380.137222
ΔH_f, kcal/mol:	-357.18
Dipole, Da:	1.78
IP(EA), eV:	-8.64(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(3-hydroxypropyl)-8,9-dimethoxy-12H-isoquinolino[4,3-c]quinoline-6,11-dione

Drug info:

PubChemData

Smile

CC(C)(C)[Si](C)(C)OCCCN1C(=C(C2=CC(=C(C=C2C1=O)OC)OC)C(=O)OC)C3=CC=CC=C3NC(=O)OC

DOS

IR

Vibrations