Geometry & MOs

Info

ID:	255381
PubChem CID:	103131690
Reduced:	N2O2C11H18 (1)
Stoich.:	A2B2C11D18 (1)
Weight, g/mol:	196.121178
ΔH_f, kcal/mol:	-70.06
Dipole, Da:	2.86
IP(EA), eV:	-9.38(0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-(1-methylpyrazol-3-yl)butanoate

Drug info:

PubChemData

Smile

CCCCC(C1=NN(C=C1)C)C(=O)OC

DOS

IR

Vibrations