Geometry & MOs

Info

ID:	37686
PubChem CID:	8023214
Reduced:	OF3N4H19C21 (1)
Stoich.:	AB3C4D19E21 (1)
Weight, g/mol:	394.121483
ΔH_f, kcal/mol:	-118.91
Dipole, Da:	8.81
IP(EA), eV:	-9.03(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-(4-benzylpiperazin-1-yl)-3-(2,6-dichlorophenoxy)propan-2-ol

Drug info:

PubChemData

Smile

C1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)C3=NC4=CC=CC=C4N=C3

DOS

IR

Vibrations