Geometry & MOs

Info

ID:	347175
PubChem CID:	127271716
Reduced:	OSN4C20H24 (1)
Stoich.:	ABC4D20E24 (1)
Weight, g/mol:	392.23246
ΔH_f, kcal/mol:	22.77
Dipole, Da:	5.88
IP(EA), eV:	-8.6(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-cyclohexyl-1-methylpyrazol-4-yl)-[4-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methanone

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)N(C)CC3=NC4=CC=CC=C4S3

DOS

IR

Vibrations