Geometry & MOs

Info

ID:	29053
PubChem CID:	831347
Reduced:	N2O5H14C17 (1)
Stoich.:	A2B5C14D17 (1)
Weight, g/mol:	277.106256
ΔH_f, kcal/mol:	-113.05
Dipole, Da:	6.68
IP(EA), eV:	-9.5(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-3-hydroxy-5-methyl-2-(pyridine-3-carbonyl)-4H-pyrazole-3-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](C#N)C(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CO2

DOS

IR

Vibrations