Geometry & MOs

Info

ID:	121151
PubChem CID:	50757404
Reduced:	FO3N4C28H31 (1)
Stoich.:	AB3C4D28E31 (1)
Weight, g/mol:	443.139368
ΔH_f, kcal/mol:	-140.36
Dipole, Da:	6.38
IP(EA), eV:	-8.33(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)N2C(=O)C3=C(C4=C(N3CC2(C)C(=O)NC5CCCC5)C=CC(=C4)F)NC(=O)C

DOS

IR

Vibrations