Geometry & MOs

Info

ID:	142567
PubChem CID:	53058681
Reduced:	FO3N4C22H23 (1)
Stoich.:	AB3C4D22E23 (1)
Weight, g/mol:	454.164105
ΔH_f, kcal/mol:	-95.92
Dipole, Da:	3.03
IP(EA), eV:	-9.26(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(3-methoxyphenyl)-2-oxoethyl]-4-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]quinazoline-1,5-dione

Drug info:

PubChemData

Smile

CC(C)OCCCN1C(=O)C2=CC=CC=C2N3C1=NN(C3=O)CC4=CC(=CC=C4)F

DOS

IR

Vibrations