Geometry & MOs

Info

ID:	335926
PubChem CID:	127254788
Reduced:	ON5C22H23 (1)
Stoich.:	AB5C22D23 (1)
Weight, g/mol:	416.159689
ΔH_f, kcal/mol:	52.86
Dipole, Da:	6.95
IP(EA), eV:	-8.52(-0.42)
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-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)acetamide

Drug info:

PubChemData

Smile

CC(C)N1C=C(C2=CC=CC=C21)CCNC(=O)C3=CC(=NN3)C4=CC=NC=C4

DOS

IR

Vibrations