Geometry & MOs

Info

ID:	149366
PubChem CID:	53789038
Reduced:	N2O7C13H18 (1)
Stoich.:	A2B7C13D18 (1)
Weight, g/mol:	298.131742
ΔH_f, kcal/mol:	-295.47
Dipole, Da:	3.69
IP(EA), eV:	-9.83(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethylpyrazol-3-yl) 1-methyl-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CN(C(=O)N(C1=O)CC(=O)CO)[C@H]2C[C@@H]([C@H](O2)CO)O

DOS

IR

Vibrations