Geometry & MOs

Info

ID:	130526
PubChem CID:	51091090
Reduced:	SN2O3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	295.158372
ΔH_f, kcal/mol:	-77.97
Dipole, Da:	1.58
IP(EA), eV:	-9.04(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,3-dimethylmorpholin-4-yl)-3-(3-fluoro-4-methoxyphenyl)propan-1-one

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CC=CC(=C2)C(=O)N3CCOCC3(C)C

DOS

IR

Vibrations