Geometry & MOs

Info

ID:	238572
PubChem CID:	92741959
Reduced:	FO3N5H20C25 (1)
Stoich.:	AB3C5D20E25 (1)
Weight, g/mol:	495.131837
ΔH_f, kcal/mol:	-12.59
Dipole, Da:	5.47
IP(EA), eV:	-8.87(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(4-fluorophenyl)ethyl]-5-oxo-3-[3-(trifluoromethyl)phenyl]-1H-triazolo[1,5-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)F)NC(=O)C2=CC3=C(C=C2)C(=O)N=C4N3NN=C4C5=CC=C(C=C5)OC

DOS

IR

Vibrations