Geometry & MOs

Info

ID:	226672
PubChem CID:	87551010
Reduced:	NF2O3C10H11 (1)
Stoich.:	AB2C3D10E11 (1)
Weight, g/mol:	318.098249
ΔH_f, kcal/mol:	-69.04
Dipole, Da:	3.58
IP(EA), eV:	-9.51(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-3-[3-(dimethylcarbamoyloxy)-4-hydroxyphenyl]-1-methoxy-1-oxopropan-2-yl]azanium;chloride

Drug info:

PubChemData

Smile

COC(CN(C(=O)OF)F)C1=CC=CC=C1

DOS

IR

Vibrations