Geometry & MOs

Info

ID:	396948
PubChem CID:	135029498
Reduced:	NOSH13C16 (1)
Stoich.:	ABCD13E16 (1)
Weight, g/mol:	324.147393
ΔH_f, kcal/mol:	46.64
Dipole, Da:	3.22
IP(EA), eV:	-8.85(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-dimethoxy-13-methyl-6,13a-dihydro-5H-isoquinolino[1,2-b]quinazolin-8-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC=C(O2)CSC3=CC=CC=C3

DOS

IR

Vibrations