Geometry & MOs

Info

ID:	334726
PubChem CID:	127253401
Reduced:	N3O7C23H27 (1)
Stoich.:	A3B7C23D27 (1)
Weight, g/mol:	440.148455
ΔH_f, kcal/mol:	-239.05
Dipole, Da:	6.63
IP(EA), eV:	-8.26(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)acetyl]amino]-N-methylbenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC(=C(C(=C3)OC)O)OC)O

DOS

IR

Vibrations