Geometry & MOs

Info

ID:	254198
PubChem CID:	103123348
Reduced:	N5H13C15 (1)
Stoich.:	A5B13C15 (1)
Weight, g/mol:	306.13036
ΔH_f, kcal/mol:	113.88
Dipole, Da:	3.23
IP(EA), eV:	-8.48(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-piperidin-4-yl-1-(4,4,4-trifluorobutyl)triazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC2=C(C=NN2C=C1)C3=NC4=C(C=CC=C4N3)CN

DOS

IR

Vibrations