Geometry & MOs

Info

ID:	348308
PubChem CID:	127273373
Reduced:	SO2N5C18H19 (1)
Stoich.:	AB2C5D18E19 (1)
Weight, g/mol:	392.182396
ΔH_f, kcal/mol:	-20.78
Dipole, Da:	2.18
IP(EA), eV:	-9.03(-0.74)
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-[3-(trifluoromethyl)phenyl]cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C34CCC(=O)N3C5=CC=CC=C5S4

DOS

IR

Vibrations