Geometry & MOs

Info

ID:	255379
PubChem CID:	103131684
Reduced:	N3C11H19 (1)
Stoich.:	A3B11C19 (1)
Weight, g/mol:	210.136828
ΔH_f, kcal/mol:	19.09
Dipole, Da:	2.29
IP(EA), eV:	-8.7(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CCC(CN1)CC2=NN(C=C2)C

DOS

IR

Vibrations