Geometry & MOs

Info

ID:	80053
PubChem CID:	49832491
Reduced:	OSN3C22H23 (1)
Stoich.:	ABC3D22E23 (1)
Weight, g/mol:	441.208613
ΔH_f, kcal/mol:	46.03
Dipole, Da:	5.11
IP(EA), eV:	-8.34(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[1-[4-(4-methylphenyl)piperazin-1-yl]-1-oxopropan-2-yl]-6,7-dihydro-4H-thieno[3,2-c]pyridin-2-yl] propanoate

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)OC3=NC4=CC=CC=C4S3)C=C1CN5CCCC5

DOS

IR

Vibrations