Geometry & MOs

Info

ID:	220621
PubChem CID:	85198070
Reduced:	NOH23C24 (1)
Stoich.:	ABC23D24 (1)
Weight, g/mol:	341.14495
ΔH_f, kcal/mol:	8.75
Dipole, Da:	1.3
IP(EA), eV:	-8.68(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-hydroxy-1-[1-(2-phenylethyl)piperidin-4-yl]-3-thiophen-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)O)C2=CC=CC3=C2C4=CC=CC5=C4C(C3)N(CC5)C

DOS

IR

Vibrations