Geometry & MOs

Info

ID:	43289
PubChem CID:	10320777
Reduced:	OSF2N3H19C24 (1)
Stoich.:	ABC2D3E19F24 (1)
Weight, g/mol:	435.204573
ΔH_f, kcal/mol:	6.06
Dipole, Da:	7.23
IP(EA), eV:	-8.73(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,6-dimethoxyphenoxy)-N-[[(2R,3R)-3-(4-methylphenyl)-2,3-dihydro-1,4-benzodioxin-2-yl]methyl]ethanamine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)F)NC(=S)NC2=CC=C(C=C2)C3=NOC=C3C4=CC=CC=C4F

DOS

IR

Vibrations