Geometry & MOs

Info

ID:	51039
PubChem CID:	12013656
Reduced:	ON2H20C24 (1)
Stoich.:	AB2C20D24 (1)
Weight, g/mol:	366.173213
ΔH_f, kcal/mol:	41.44
Dipole, Da:	7.15
IP(EA), eV:	-9.06(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(2,4-dimethylphenyl)methyl]-7,12-dihydroisoquinolino[2,3-a]quinazolin-5-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC2C3=CC=CC=C3CN4C2=NC(=O)C5=CC=CC=C54

DOS

IR

Vibrations