Geometry & MOs

Info

ID:	432355
PubChem CID:	135172488
Reduced:	N2O3C14H22 (1)
Stoich.:	A2B3C14D22 (1)
Weight, g/mol:	279.163457
ΔH_f, kcal/mol:	-109.21
Dipole, Da:	1.85
IP(EA), eV:	-8.81(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-[2-fluoro-5-[(2R)-1-(methylamino)propan-2-yl]oxyphenyl]-4-methylpent-1-en-3-one

Drug info:

PubChemData

Smile

C[C@@H](CNC(C)C)OC1=NC=C(C=C1)OCC(=O)C

DOS

IR

Vibrations