Geometry & MOs

Info

ID:	396677
PubChem CID:	135029023
Reduced:	N2O3H18C24 (1)
Stoich.:	A2B3C18D24 (1)
Weight, g/mol:	368.116092
ΔH_f, kcal/mol:	-25.48
Dipole, Da:	3.11
IP(EA), eV:	-9.32(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-benzyl-6aH-isoquinolino[2,3-a]quinazoline-5,7,12-trione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CCN2C3C(=O)C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations