Geometry & MOs

Info

ID:	296703
PubChem CID:	117589167
Reduced:	O2N3C10H10 (2)
Stoich.:	A2B3C10D10 (2)
Weight, g/mol:	340.11471
ΔH_f, kcal/mol:	44.03
Dipole, Da:	8.13
IP(EA), eV:	-8.91(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-piperidin-1-yl-2-[3-(trifluoromethyl)phenyl]triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CN(CCN1CC2=CC=CC=C2)C3=NN(N=C3C(=O)O)C4=CC=CC=C4[N+](=O)[O-]

DOS

IR

Vibrations