Geometry & MOs

Info

ID:	14832
PubChem CID:	422073
Reduced:	N2O3C20H33 (1)
Stoich.:	A2B3C20D33 (1)
Weight, g/mol:	349.249118
ΔH_f, kcal/mol:	-148.01
Dipole, Da:	5.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.905191
Charge, e:	1

Chem-info

IUPAC name:

dodecyl 2-(4-carbamoylpyridin-1-ium-1-yl)acetate

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC(=O)C[N+]1=CC=C(C=C1)C(=O)N

DOS

IR

Vibrations