Geometry & MOs

Info

ID:	382980
PubChem CID:	134974441
Reduced:	BrNO3H16C18 (1)
Stoich.:	ABC3D16E18 (1)
Weight, g/mol:	355.165782
ΔH_f, kcal/mol:	-63.96
Dipole, Da:	3.66
IP(EA), eV:	-8.06(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-methyl-1-[4-[2-(1-methylpyridin-1-ium-3-yl)-1,3-oxazol-5-yl]phenoxy]butane-2,3-diol

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=O)C(=C2)NCC3=C(C=CC(=C3)OC)Br

DOS

IR

Vibrations