Geometry & MOs

Info

ID:	174481
PubChem CID:	75769499
Reduced:	SN3O4C22H25 (1)
Stoich.:	AB3C4D22E25 (1)
Weight, g/mol:	362.174276
ΔH_f, kcal/mol:	-145.79
Dipole, Da:	7.34
IP(EA), eV:	-8.41(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-methoxyphenyl)-1-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CCNC(=O)C1=C(SC2=C1CCCC2)NC(=O)C3(C(=O)NC4=C(O3)C=CC(=C4)C)C

DOS

IR

Vibrations