Geometry & MOs

Info

ID:	79174
PubChem CID:	49747225
Reduced:	FO3N4C23H25 (1)
Stoich.:	AB3C4D23E25 (1)
Weight, g/mol:	433.102704
ΔH_f, kcal/mol:	-88.36
Dipole, Da:	5.78
IP(EA), eV:	-8.48(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=CC=C(C1=O)C(=O)NCC(C2=CC=CO2)N3CCN(CC3)C4=CC=C(C=C4)F

DOS

IR

Vibrations