Geometry & MOs

Info

ID:	189841
PubChem CID:	77913215
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	324.183778
ΔH_f, kcal/mol:	-49.9
Dipole, Da:	2.56
IP(EA), eV:	-8.99(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methoxyphenyl)-2-(2-piperidin-2-ylidenepyridin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(=CCSCCC(=O)O)CCN1C=C(N=N1)COC2=CC=CC=C2

DOS

IR

Vibrations