Geometry & MOs

Info

ID:	294175
PubChem CID:	117430899
Reduced:	NF2O2C14H19 (1)
Stoich.:	AB2C2D14E19 (1)
Weight, g/mol:	271.132077
ΔH_f, kcal/mol:	-160.74
Dipole, Da:	2.71
IP(EA), eV:	-8.58(-0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,2,4-triazol-1-yl)phenyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C1=CC(=C(C=C1C2(CCC2)N)OC)OC)(F)F

DOS

IR

Vibrations