Geometry & MOs

Info

ID:	322875
PubChem CID:	126671506
Reduced:	FNO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	251.132157
ΔH_f, kcal/mol:	-102.75
Dipole, Da:	4.1
IP(EA), eV:	-9.22(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CNC)OC1=CC(=CC(=C1)/C=C/C(=O)C)F

DOS

IR

Vibrations