Geometry & MOs

Info

ID:	334343
PubChem CID:	127252895
Reduced:	ClN4O7H21C26 (1)
Stoich.:	AB4C7D21E26 (1)
Weight, g/mol:	398.126657
ΔH_f, kcal/mol:	-123.16
Dipole, Da:	3.31
IP(EA), eV:	-8.89(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(N3C(=N2)N=CN3)C4=CC5=C(C=C4)OCO5)C(=O)[C@]16C(=O)C7=C(O6)C(=C(C=C7OC)OC)Cl

DOS

IR

Vibrations