Geometry & MOs

Info

ID:	314901
PubChem CID:	126623946
Reduced:	N2O3H16C19 (1)
Stoich.:	A2B3C16D19 (1)
Weight, g/mol:	303.04701
ΔH_f, kcal/mol:	-40.93
Dipole, Da:	2.37
IP(EA), eV:	-8.96(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-(4-methoxypyridin-1-ium-1-yl)acetate;bromide

Drug info:

PubChemData

Smile

C1CC2=C1C=CC(=C2)C3=CC4=C(C=C3)N(C=C4C(=O)N)CC(=O)O

DOS

IR

Vibrations