Geometry & MOs

Info

ID:	120814
PubChem CID:	50745622
Reduced:	ClO3N4H19C20 (1)
Stoich.:	AB3C4D19E20 (1)
Weight, g/mol:	364.169939
ΔH_f, kcal/mol:	-19.1
Dipole, Da:	7.11
IP(EA), eV:	-9.18(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(4-fluorophenyl)-5-phenyl-1,2,4-triazol-3-yl]-(4-methylpiperidin-1-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NC(=NN2C3=CC=CC=C3Cl)C(=O)N4CCOCC4

DOS

IR

Vibrations