Geometry & MOs

Info

ID:	335976
PubChem CID:	127254983
Reduced:	N2O3C19H24 (1)
Stoich.:	A2B3C19D24 (1)
Weight, g/mol:	418.083268
ΔH_f, kcal/mol:	-89.03
Dipole, Da:	2.29
IP(EA), eV:	-8.48(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)NC(=O)CCCCCN3C=CC=C3)OC1

DOS

IR

Vibrations