Geometry & MOs

Info

ID:	334927
PubChem CID:	127253733
Reduced:	N2O7H22C23 (1)
Stoich.:	A2B7C22D23 (1)
Weight, g/mol:	375.158292
ΔH_f, kcal/mol:	-191.34
Dipole, Da:	4.37
IP(EA), eV:	-8.83(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-prop-2-enylbutanamide

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)OC)OCO3)CNC(=O)/C=C/C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations