Geometry & MOs

Info

ID:	7112
PubChem CID:	71241
Reduced:	FN3O3C22H28 (1)
Stoich.:	AB3C3D22E28 (1)
Weight, g/mol:	401.21147
ΔH_f, kcal/mol:	-120.65
Dipole, Da:	5.09
IP(EA), eV:	-8.4(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-[4-(2-fluorophenyl)piperazin-1-yl]propoxy]-3-methoxyphenyl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=CC(=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3F)OC

DOS

IR

Vibrations