Geometry & MOs

Info

ID:	432353
PubChem CID:	135172486
Reduced:	INO2C14H18 (1)
Stoich.:	ABC2D14E18 (1)
Weight, g/mol:	281.179107
ΔH_f, kcal/mol:	-39.26
Dipole, Da:	4.12
IP(EA), eV:	-8.79(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-fluoro-5-[(2R)-1-(propan-2-ylamino)propan-2-yl]oxyphenyl]butan-2-one

Drug info:

PubChemData

Smile

CNC1CC(C1)OC2=CC=CC(=C2)CC(=O)CI

DOS

IR

Vibrations