Geometry & MOs

Info

ID:	142351
PubChem CID:	53019850
Reduced:	ON5C24H25 (1)
Stoich.:	AB5C24D25 (1)
Weight, g/mol:	365.128803
ΔH_f, kcal/mol:	41.15
Dipole, Da:	2.25
IP(EA), eV:	-8.49(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,4-dimethylphenyl)-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)C2=NC3=C(N2CCNC(=O)NC4=CC=CC(=C4C)C)N=CC=C3

DOS

IR

Vibrations