Geometry & MOs

Info

ID:	360579
PubChem CID:	127301224
Reduced:	ON5C23H23 (1)
Stoich.:	AB5C23D23 (1)
Weight, g/mol:	394.182733
ΔH_f, kcal/mol:	56.9
Dipole, Da:	10.4
IP(EA), eV:	-8.94(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC3=CC=CC=C3N2)C4CCN(C4=O)C5=CC=C(C=C5)C#N

DOS

IR

Vibrations