Geometry & MOs

Info

ID:	396678
PubChem CID:	135029024
Reduced:	N2O3H16C23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	396.147393
ΔH_f, kcal/mol:	7.01
Dipole, Da:	4.86
IP(EA), eV:	-9.14(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[(3,4-dimethylphenyl)methyl]-6aH-isoquinolino[2,3-a]quinazoline-5,7,12-trione

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CN2C3C(=O)C4=CC=CC=C4C(=O)N3C5=CC=CC=C5C2=O

DOS

IR

Vibrations