Geometry & MOs

Info

ID:	207359
PubChem CID:	80386631
Reduced:	OF3N4H11C12 (1)
Stoich.:	AB3C4D11E12 (1)
Weight, g/mol:	278.210661
ΔH_f, kcal/mol:	-115.3
Dipole, Da:	9.67
IP(EA), eV:	-9.36(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-tert-butyl-N-[(4-methylcyclohexyl)methyl]-1H-1,2,4-triazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCC1=NC(=NN1)C(=O)NC2=CC(=C(C(=C2)F)F)F

DOS

IR

Vibrations