Geometry & MOs

Info

ID:	77927
PubChem CID:	49674687
Reduced:	ClFON4H14C17 (1)
Stoich.:	ABCD4E14F17 (1)
Weight, g/mol:	310.122989
ΔH_f, kcal/mol:	7.56
Dipole, Da:	3.57
IP(EA), eV:	-9.35(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)N2C=C(N=N2)C(=O)NCCC3=CC=C(C=C3)Cl

DOS

IR

Vibrations