Geometry & MOs

Info

ID:	152964
PubChem CID:	56312067
Reduced:	F2N2O2C21H24 (1)
Stoich.:	A2B2C2D21E24 (1)
Weight, g/mol:	427.192963
ΔH_f, kcal/mol:	-138.88
Dipole, Da:	4.37
IP(EA), eV:	-8.74(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[4-[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-3-oxopropyl]-3-methylpiperazin-1-yl]benzoate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2CCN(CC2)CC(=O)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations