Geometry & MOs

Info

ID:	51038
PubChem CID:	12013655
Reduced:	ON2H18C23 (1)
Stoich.:	AB2C18D23 (1)
Weight, g/mol:	352.157563
ΔH_f, kcal/mol:	50.59
Dipole, Da:	7.73
IP(EA), eV:	-9.04(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2-methylphenyl)methyl]-7,12-dihydroisoquinolino[2,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

C1C2=CC=CC=C2C(C3=NC(=O)C4=CC=CC=C4N31)CC5=CC=CC=C5

DOS

IR

Vibrations