Geometry & MOs

Info

ID:	129331
PubChem CID:	51072287
Reduced:	O2N4H6C7 (1)
Stoich.:	A2B4C6D7 (1)
Weight, g/mol:	265.95522
ΔH_f, kcal/mol:	2.58
Dipole, Da:	5.96
IP(EA), eV:	-10.23(-1.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-iodopyrazol-1-yl)acetate

Drug info:

PubChemData

Smile

CC1=NC2=NN=C(N2C=C1)C(=O)O

DOS

IR

Vibrations