Geometry & MOs

Info

ID:	319103
PubChem CID:	126654795
Reduced:	FNO2C18H26 (1)
Stoich.:	ABC2D18E26 (1)
Weight, g/mol:	259.214744
ΔH_f, kcal/mol:	-120.42
Dipole, Da:	3.62
IP(EA), eV:	-9.03(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-2-methyl-4-[3-[2-(propan-2-ylamino)ethoxy]propoxy]pentan-3-one

Drug info:

PubChemData

Smile

C[C@@H](CNC(C)C)OC1=C(C=CC(=C1)/C=C/C(=O)C(C)C)F

DOS

IR

Vibrations