Geometry & MOs

Info

ID:	255380
PubChem CID:	103131689
Reduced:	N2O2C11H18 (1)
Stoich.:	A2B2C11D18 (1)
Weight, g/mol:	210.136828
ΔH_f, kcal/mol:	-74.45
Dipole, Da:	2.82
IP(EA), eV:	-9.35(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(1-methylpyrazol-3-yl)hexanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(C1=NN(C=C1)C)C(C)C

DOS

IR

Vibrations