Geometry & MOs

Info

ID:	51042
PubChem CID:	12013659
Reduced:	NOH9C12 (2)
Stoich.:	ABC9D12 (2)
Weight, g/mol:	276.126263
ΔH_f, kcal/mol:	21.11
Dipole, Da:	8.33
IP(EA), eV:	-8.94(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7,7-dimethyl-12H-isoquinolino[2,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(C3=NC(=O)C4=CC=CC=C4N31)CC(=O)C5=CC=CC=C5

DOS

IR

Vibrations