Geometry & MOs

Info

ID:	348552
PubChem CID:	127273663
Reduced:	F2O2N5C18H19 (1)
Stoich.:	A2B2C5D18E19 (1)
Weight, g/mol:	345.177645
ΔH_f, kcal/mol:	-121.28
Dipole, Da:	4.6
IP(EA), eV:	-9.37(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-1-(2,2,2-trifluoroethyl)piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3CCN(C3=O)C4=CC(=C(C=C4)F)F

DOS

IR

Vibrations