Geometry & MOs

Info

ID:	238567
PubChem CID:	92741943
Reduced:	O2N5H19C20 (1)
Stoich.:	A2B5C19D20 (1)
Weight, g/mol:	379.144453
ΔH_f, kcal/mol:	40.04
Dipole, Da:	4.36
IP(EA), eV:	-9.22(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-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

DOS

IR

Vibrations