Geometry & MOs

Info

ID:	156607
PubChem CID:	56371331
Reduced:	NO2C13H16 (2)
Stoich.:	AB2C13D16 (2)
Weight, g/mol:	385.171165
ΔH_f, kcal/mol:	-138.28
Dipole, Da:	4.14
IP(EA), eV:	-8.0(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[2-[2-(3,4-dimethoxyphenyl)ethyl]piperidin-1-yl]-3-thiophen-2-ylprop-2-en-1-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCC2CCCCN2C(=O)C3=CC(=CC=C3)N4CCCC4=O)OC

DOS

IR

Vibrations