Geometry & MOs

Info

ID:	335141
PubChem CID:	127254002
Reduced:	ClN3O5H16C18 (1)
Stoich.:	AB3C5D16E18 (1)
Weight, g/mol:	499.199488
ΔH_f, kcal/mol:	-138.62
Dipole, Da:	4.18
IP(EA), eV:	-9.17(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,4-dimethoxy-6-[[3-methoxy-4-(2-methylpropoxy)phenyl]methyl]indeno[1,2-c]isoquinoline-5,11-dione

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)O)OCO3)CNC(=O)C4=CN=C(C=C4)Cl

DOS

IR

Vibrations