Geometry & MOs

Info

ID:	217070
PubChem CID:	85087200
Reduced:	NO3C20H27 (1)
Stoich.:	AB3C20D27 (1)
Weight, g/mol:	329.14495
ΔH_f, kcal/mol:	-123.27
Dipole, Da:	3.36
IP(EA), eV:	-9.44(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(3-hydroxyphenyl)-3,4-dimethylpiperidin-1-yl]-2-thiophen-2-ylethanone

Drug info:

PubChemData

Smile

CC1(CCC2(N(C1=O)C(C(O2)C3=CC=CC=C3)CO)C)CCC=C

DOS

IR

Vibrations