Geometry & MOs

Info

ID:	296704
PubChem CID:	117589260
Reduced:	O2F3N4C15H15 (1)
Stoich.:	A2B3C4D15E15 (1)
Weight, g/mol:	331.128054
ΔH_f, kcal/mol:	-163.71
Dipole, Da:	3.38
IP(EA), eV:	-9.04(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methylpiperidin-1-yl)-2-(2-nitrophenyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=NN(N=C2C(=O)O)C3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations