Geometry & MOs

Info

ID:	57854
PubChem CID:	24277831
Reduced:	O2N3H13C16 (1)
Stoich.:	A2B3C13D16 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	18.26
Dipole, Da:	7.83
IP(EA), eV:	-9.6(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(N=NN2C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations