Geometry & MOs

Info

ID:	28676
PubChem CID:	828889
Reduced:	FN2O3C14H15 (1)
Stoich.:	AB2C3D14E15 (1)
Weight, g/mol:	304.215078
ΔH_f, kcal/mol:	-149.24
Dipole, Da:	5.11
IP(EA), eV:	-9.39(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-(4-ethylpiperazin-1-yl)-3-(2-prop-2-enylphenoxy)propan-2-ol

Drug info:

PubChemData

Smile

CC1=C([C@H](NC(=O)N1C)C2=CC(=CC=C2)F)C(=O)OC

DOS

IR

Vibrations