Geometry & MOs

Info

ID:	55370
PubChem CID:	17395300
Reduced:	N3O5C26H27 (1)
Stoich.:	A3B5C26D27 (1)
Weight, g/mol:	371.200905
ΔH_f, kcal/mol:	-115.73
Dipole, Da:	5.22
IP(EA), eV:	-8.22(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-fluoro-N-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propyl]benzamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C=C2C3=CC=CC=C3OC2=C1)OC)N(C)CC(=O)NC4=CC=C(C=C4)OC

DOS

IR

Vibrations