Geometry & MOs

Info

ID:	296690
PubChem CID:	117588794
Reduced:	NO2C8H8 (2)
Stoich.:	AB2C8D8 (2)
Weight, g/mol:	328.227654
ΔH_f, kcal/mol:	2.79
Dipole, Da:	5.89
IP(EA), eV:	-9.71(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

benzyl-[2-hydroxy-3-(2,4,6-trimethylphenoxy)propyl]-dimethylazanium

Drug info:

PubChemData

Smile

CC\1=CC(=O)C(=C/C1=N\OC2=CC=CC=C2[N+](=O)[O-])C(C)C

DOS

IR

Vibrations