Geometry & MOs

Info

ID:	149052
PubChem CID:	53788723
Reduced:	N3C6H8 (2)
Stoich.:	A3B6C8 (2)
Weight, g/mol:	406.145948
ΔH_f, kcal/mol:	41.47
Dipole, Da:	2.59
IP(EA), eV:	-8.02(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chloro-2-hydroxyphenoxy)-1-[(2R,5S)-4-[(4-fluorophenyl)methyl]-2,5-dimethylpiperazin-1-yl]ethanone

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1N)N)N)C2=CC(=C(C(=C2)N)N)N

DOS

IR

Vibrations