Geometry & MOs

Info

ID:	294412
PubChem CID:	117459621
Reduced:	NO3C17H19 (1)
Stoich.:	AB3C17D19 (1)
Weight, g/mol:	285.147727
ΔH_f, kcal/mol:	-54.16
Dipole, Da:	4.09
IP(EA), eV:	-9.76(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCCC(CC1)C2=CC=CC=C2C3=NOC(=C3)C(=O)O

DOS

IR

Vibrations