Geometry & MOs

Info

ID:	336009
PubChem CID:	127255016
Reduced:	ON2C11H11 (2)
Stoich.:	AB2C11D11 (2)
Weight, g/mol:	401.148789
ΔH_f, kcal/mol:	27.65
Dipole, Da:	6.18
IP(EA), eV:	-8.31(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(5,11-dioxo-6aH-isoindolo[2,1-a]quinazolin-6-yl)-N-(2-imidazol-1-ylethyl)acetamide

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)CCNC(=O)C3=CC(=C(C=C3)OC)N4C=CC=N4

DOS

IR

Vibrations