Geometry & MOs

Info

ID:	238568
PubChem CID:	92741946
Reduced:	FO2N5H18C20 (1)
Stoich.:	AB2C5D18E20 (1)
Weight, g/mol:	379.144453
ΔH_f, kcal/mol:	-7.99
Dipole, Da:	4.5
IP(EA), eV:	-9.4(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-3-(3-fluorophenyl)-5-oxo-1H-triazolo[1,5-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

CC[C@@H](C)NC(=O)C1=CC2=C(C=C1)C(=O)N=C3N2NN=C3C4=CC(=CC=C4)F

DOS

IR

Vibrations