Geometry & MOs

Info

ID:	142352
PubChem CID:	53020164
Reduced:	FO2N5H16C19 (1)
Stoich.:	AB2C5D16E19 (1)
Weight, g/mol:	381.087332
ΔH_f, kcal/mol:	-32.09
Dipole, Da:	4.5
IP(EA), eV:	-8.63(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-yl)-2-(8-fluoro-3-oxo-[1,2,4]triazolo[4,3-c]quinazolin-2-yl)acetamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)CN2C(=O)N3C=NC4=C(C3=N2)C=CC(=C4)F)C

DOS

IR

Vibrations