Geometry & MOs

Info

ID:	151949
PubChem CID:	56310782
Reduced:	FO3N5C27H32 (1)
Stoich.:	AB3C5D27E32 (1)
Weight, g/mol:	398.202799
ΔH_f, kcal/mol:	-116.32
Dipole, Da:	4.14
IP(EA), eV:	-8.62(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CCN1C(=O)C(=C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CN3CCCN(CC3)CC4=CC=CC=C4F

DOS

IR

Vibrations