Geometry & MOs

Info

ID:	51041
PubChem CID:	12013658
Reduced:	ClON2H17C23 (1)
Stoich.:	ABC2D17E23 (1)
Weight, g/mol:	366.136828
ΔH_f, kcal/mol:	40.42
Dipole, Da:	6.75
IP(EA), eV:	-9.13(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-phenacyl-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=C(C=C5)Cl

DOS

IR

Vibrations