Geometry & MOs

Info

ID:	238571
PubChem CID:	92741957
Reduced:	O4N5H21C22 (1)
Stoich.:	A4B5C21D22 (1)
Weight, g/mol:	457.155018
ΔH_f, kcal/mol:	-33.11
Dipole, Da:	5.16
IP(EA), eV:	-8.8(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NNN3C2=NC(=O)C4=C3C=C(C=C4)C(=O)NC[C@H]5CCCO5

DOS

IR

Vibrations