Geometry & MOs

Info

ID:	51037
PubChem CID:	12013652
Reduced:	NOSC15H19 (1)
Stoich.:	ABCD15E19 (1)
Weight, g/mol:	338.141913
ΔH_f, kcal/mol:	-24.98
Dipole, Da:	1.28
IP(EA), eV:	-8.69(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-benzyl-7,12-dihydroisoquinolino[2,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

C1CCN(CC1)CC2CSC3=CC=CC=C3C2=O

DOS

IR

Vibrations