Geometry & MOs

Info

ID:	36898
PubChem CID:	8014409
Reduced:	F2N2O5C17H20 (1)
Stoich.:	A2B2C5D17E20 (1)
Weight, g/mol:	364.187246
ΔH_f, kcal/mol:	-298.92
Dipole, Da:	6.98
IP(EA), eV:	-9.06(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

ethyl (3S)-1-[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl]piperidin-1-ium-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1CCCN(C1)CC(=O)NC2=CC3=C(C=C2)OC(O3)(F)F

DOS

IR

Vibrations