Geometry & MOs

Info

ID:	79178
PubChem CID:	49747237
Reduced:	FO4N7C25H28 (1)
Stoich.:	AB4C7D25E28 (1)
Weight, g/mol:	481.219927
ΔH_f, kcal/mol:	-111.38
Dipole, Da:	4.57
IP(EA), eV:	-8.33(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[4-(4-fluorophenyl)piperazin-1-yl]-2-(furan-2-yl)ethyl]-1-thiophen-2-ylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)NCC(C3=CC=CO3)N4CCN(CC4)C5=CC=C(C=C5)F

DOS

IR

Vibrations