Geometry & MOs

Info

ID:	313279
PubChem CID:	126613419
Reduced:	O3H24C25 (1)
Stoich.:	A3B24C25 (1)
Weight, g/mol:	455.187878
ΔH_f, kcal/mol:	-72.63
Dipole, Da:	2.54
IP(EA), eV:	-8.66(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[1-[5-[(E)-2-cyano-2-(3,4-dimethoxyphenyl)ethenyl]thiophen-2-yl]piperidin-4-yl]-2-(dimethylamino)acetic acid

Drug info:

PubChemData

Smile

CCC1=C2C(C3=CC=CC=C3OC2=CC=C1)C(C4=CC=CC=C4)C(=O)OCC

DOS

IR

Vibrations