Geometry & MOs

Info

ID:	57857
PubChem CID:	24277865
Reduced:	O2N4H12C15 (1)
Stoich.:	A2B4C12D15 (1)
Weight, g/mol:	325.088498
ΔH_f, kcal/mol:	30.3
Dipole, Da:	7.81
IP(EA), eV:	-9.93(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-5-(phenylsulfanylmethyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(N=N2)C(=O)O)C3=CC=NC=C3

DOS

IR

Vibrations