Geometry & MOs

Info

ID:	152127
PubChem CID:	56310991
Reduced:	O2N3C25H27 (1)
Stoich.:	A2B3C25D27 (1)
Weight, g/mol:	411.198048
ΔH_f, kcal/mol:	2.02
Dipole, Da:	4.57
IP(EA), eV:	-8.93(-0.4)
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-[2-(2-methylphenyl)acetyl]piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CC3=CC=CC=C3OC4=CN=CC=C4

DOS

IR

Vibrations