Geometry & MOs

Info

ID:	123473
PubChem CID:	50849269
Reduced:	BrCl2N2O2H9C14 (1)
Stoich.:	AB2C2D2E9F14 (1)
Weight, g/mol:	298.179361
ΔH_f, kcal/mol:	-15.63
Dipole, Da:	2.5
IP(EA), eV:	-8.75(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclohexyl-5-methyl-2-(4-methylphenyl)triazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C(=C1)Br)OC(=N2)C3=CC(=C(C(=C3)Cl)N)Cl

DOS

IR

Vibrations