Geometry & MOs

Info

ID:	347173
PubChem CID:	127271714
Reduced:	ON5C19H23 (1)
Stoich.:	AB5C19D23 (1)
Weight, g/mol:	338.185509
ΔH_f, kcal/mol:	30.54
Dipole, Da:	5.66
IP(EA), eV:	-9.09(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NCC3=CN4C=CC=CC4=N3

DOS

IR

Vibrations