Geometry & MOs

Info

ID:	138302
PubChem CID:	52343024
Reduced:	N4O5H18C20 (1)
Stoich.:	A4B5C18D20 (1)
Weight, g/mol:	326.214033
ΔH_f, kcal/mol:	-54.18
Dipole, Da:	4.34
IP(EA), eV:	-9.79(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	2

Chem-info

IUPAC name:

diethyl-[2-[[4-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]azanium

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)OC3=CC=CC(=C3)C(=O)N)C)[N+](=O)[O-]

DOS

IR

Vibrations