Geometry & MOs

Info

ID:	77924
PubChem CID:	49674673
Reduced:	FO2N5C20H20 (1)
Stoich.:	AB2C5D20E20 (1)
Weight, g/mol:	326.117904
ΔH_f, kcal/mol:	-9.32
Dipole, Da:	7.76
IP(EA), eV:	-8.32(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluorophenyl)-N-[(2-methoxyphenyl)methyl]triazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)N2C=C(N=N2)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations