Geometry & MOs

Info

ID:	148943
PubChem CID:	53788613
Reduced:	N2O7H24C27 (1)
Stoich.:	A2B7C24D27 (1)
Weight, g/mol:	551.478784
ΔH_f, kcal/mol:	-127.96
Dipole, Da:	3.61
IP(EA), eV:	-8.34(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl 3-[2,2,6,6-tetramethyl-1-(octadecylcarbamoyloxy)piperidin-1-ium-1-yl]prop-2-enoate

Drug info:

PubChemData

Smile

COC1=C(NC=C1)C=C2C3=C(C=CC=C3NC2=O)C#CC(C4=CC(=C(C=C4)OCC(=O)OC)OC)O

DOS

IR

Vibrations