Geometry & MOs

Info

ID:	79319
PubChem CID:	49748031
Reduced:	FN3O3C26H34 (1)
Stoich.:	AB3C3D26E34 (1)
Weight, g/mol:	387.178062
ΔH_f, kcal/mol:	-124.97
Dipole, Da:	4.93
IP(EA), eV:	-8.8(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-1-thiophen-2-ylcyclopropane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(CNC(=O)C2(CCOCC2)C3=CC=CC=C3OC)C4=CC=C(C=C4)F

DOS

IR

Vibrations