Geometry & MOs

Info

ID:	334040
PubChem CID:	127252592
Reduced:	N2O6C21H28 (1)
Stoich.:	A2B6C21D28 (1)
Weight, g/mol:	373.117489
ΔH_f, kcal/mol:	-211.08
Dipole, Da:	8.58
IP(EA), eV:	-8.51(-0.27)
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-(1H-pyrazol-5-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NCCCN(C)C)C2=CC(=C(C=C2)O)OC)O

DOS

IR

Vibrations