Geometry & MOs

Info

ID:	172319
PubChem CID:	75497023
Reduced:	N2O3C17H22 (1)
Stoich.:	A2B3C17D22 (1)
Weight, g/mol:	333.139865
ΔH_f, kcal/mol:	-55.56
Dipole, Da:	3.79
IP(EA), eV:	-8.86(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,5-dimethoxyphenyl)-1-(thiophen-2-ylmethyl)piperidin-4-ol

Drug info:

PubChemData

Smile

C[C@@H]1CN(CC(O1)C(=O)N)CC2=CC=C(C=C2)OCCC#C

DOS

IR

Vibrations