Geometry & MOs

Info

ID:	151802
PubChem CID:	56310611
Reduced:	N2O3C23H30 (1)
Stoich.:	A2B3C23D30 (1)
Weight, g/mol:	356.190006
ΔH_f, kcal/mol:	-86.17
Dipole, Da:	4.21
IP(EA), eV:	-8.88(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[2-(3-fluorophenoxy)ethyl]piperazin-1-yl]-2-(2-methylphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1CC(=O)N2CCN(CC2)CCOCCOC3=CC=CC=C3

DOS

IR

Vibrations