Geometry & MOs

Info

ID:	421927
PubChem CID:	135116856
Reduced:	F2N2O2C19H26 (1)
Stoich.:	A2B2C2D19E26 (1)
Weight, g/mol:	345.205242
ΔH_f, kcal/mol:	-179.98
Dipole, Da:	2.07
IP(EA), eV:	-9.13(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dimethylphenoxy)-N-(2-hydroxyethyl)-2-methyl-N-[(5-methyl-1H-imidazol-4-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C(=O)CCC3=C(C=C(C=C3)F)F)CO

DOS

IR

Vibrations