Geometry & MOs

Info

ID:	335698
PubChem CID:	127254560
Reduced:	O3N4C26H30 (1)
Stoich.:	A3B4C26D30 (1)
Weight, g/mol:	494.170253
ΔH_f, kcal/mol:	-46.08
Dipole, Da:	8.43
IP(EA), eV:	-8.95(-1.19)
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-[3-[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]phenyl]acetamide

Drug info:

PubChemData

Smile

CC(C)N1C2=CC=CC=C2N=C1CCCN3C(=O)C(C4CC3(OC5=CC=CC=C45)C)C(=O)N

DOS

IR

Vibrations