Geometry & MOs

Info

ID:	77929
PubChem CID:	49674689
Reduced:	OF2N4H12C16 (1)
Stoich.:	AB2C4D12E16 (1)
Weight, g/mol:	326.117904
ΔH_f, kcal/mol:	-23.89
Dipole, Da:	3.06
IP(EA), eV:	-9.74(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CNC(=O)C2=CN(N=N2)C3=CC(=CC=C3)F)F

DOS

IR

Vibrations