Geometry & MOs

Info

ID:	298715
PubChem CID:	117654334
Reduced:	KO4C11H15 (1)
Stoich.:	AB4C11D15 (1)
Weight, g/mol:	405.18009
ΔH_f, kcal/mol:	-245.14
Dipole, Da:	7.18
IP(EA), eV:	-9.37(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[3-(4-azido-2,6-dimethylphenyl)-2-methoxy-4-oxocyclopent-2-en-1-yl]ethyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C(C)(C)[O-].C(=O)(O)O.[K+]

DOS

IR

Vibrations