Geometry & MOs

Info

ID:	367432
PubChem CID:	127324610
Reduced:	ON5C17H29 (1)
Stoich.:	AB5C17D29 (1)
Weight, g/mol:	360.188544
ΔH_f, kcal/mol:	-40.71
Dipole, Da:	3.25
IP(EA), eV:	-9.32(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)N(C)C3CCC(CC3)C

DOS

IR

Vibrations