Geometry & MOs

Info

ID:	56941
PubChem CID:	22394989
Reduced:	O2C4H5 (2)
Stoich.:	A2B4C5 (2)
Weight, g/mol:	267.207253
ΔH_f, kcal/mol:	-162.57
Dipole, Da:	2.35
IP(EA), eV:	-8.79(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-(5-ethylnonan-5-yl)-3,5-dihydropyrazole-4-carboxylate

Drug info:

PubChemData

Smile

C1=C(C=C(C(=C1CO)O)CO)O

DOS

IR

Vibrations