Geometry & MOs

Info

ID:	407468
PubChem CID:	135080184
Reduced:	Cl2N2C13H14 (1)
Stoich.:	A2B2C13D14 (1)
Weight, g/mol:	186.089209
ΔH_f, kcal/mol:	29.45
Dipole, Da:	2.26
IP(EA), eV:	-9.23(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-cyclopropyl-2-hydroxy-3-oxobutanoate

Drug info:

PubChemData

Smile

CCCCC1=NN(C=C1)C2=CC(=CC(=C2)Cl)Cl

DOS

IR

Vibrations