Geometry & MOs

Info

ID:	343362
PubChem CID:	127266535
Reduced:	SN2O3C17H20 (1)
Stoich.:	AB2C3D17E20 (1)
Weight, g/mol:	312.158626
ΔH_f, kcal/mol:	-64.89
Dipole, Da:	4.03
IP(EA), eV:	-9.26(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-hydroxyphenyl)-1-[2-(triazol-1-ylmethyl)piperidin-1-yl]prop-2-en-1-one

Drug info:

PubChemData

Smile

CC(C1=NC(=CS1)CN(C)C(=O)C=CC2=CC(=CC=C2)O)OC

DOS

IR

Vibrations