Geometry & MOs

Info

ID:	374869
PubChem CID:	131349590
Reduced:	NSO2C11H13 (1)
Stoich.:	ABC2D11E13 (1)
Weight, g/mol:	217.96909
ΔH_f, kcal/mol:	-38.72
Dipole, Da:	5.84
IP(EA), eV:	-8.39(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(4-bromo-1H-pyrazol-5-yl)acetate

Drug info:

PubChemData

Smile

CC(=O)C1=CC2=C(S1)C=C(N2C)COC

DOS

IR

Vibrations