Geometry & MOs

Info

ID:	238570
PubChem CID:	92741953
Reduced:	FO2N5H18C24 (1)
Stoich.:	AB2C5D18E24 (1)
Weight, g/mol:	419.159354
ΔH_f, kcal/mol:	30.4
Dipole, Da:	4.79
IP(EA), eV:	-9.43(-1.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-5-oxo-N-[[(2R)-oxolan-2-yl]methyl]-1H-triazolo[1,5-a]quinazoline-8-carboxamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations