Geometry & MOs

Info

ID:	79318
PubChem CID:	49748021
Reduced:	FN3O3C23H26 (1)
Stoich.:	AB3C3D23E26 (1)
Weight, g/mol:	455.25842
ΔH_f, kcal/mol:	-86.4
Dipole, Da:	2.0
IP(EA), eV:	-8.76(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]-4-(2-methoxyphenyl)oxane-4-carboxamide

Drug info:

PubChemData

Smile

CN1CCN(CC1)C(CNC(=O)/C=C/C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)F

DOS

IR

Vibrations