Geometry & MOs

Info

ID:	367453
PubChem CID:	127324678
Reduced:	O2N5C15H25 (1)
Stoich.:	A2B5C15D25 (1)
Weight, g/mol:	397.247775
ΔH_f, kcal/mol:	-82.21
Dipole, Da:	3.1
IP(EA), eV:	-9.6(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NC3CCCCC3O

DOS

IR

Vibrations