Geometry & MOs

Info

ID:	310404
PubChem CID:	126579853
Reduced:	ClN2O2C13H13 (1)
Stoich.:	AB2C2D13E13 (1)
Weight, g/mol:	338.0266
ΔH_f, kcal/mol:	24.62
Dipole, Da:	2.79
IP(EA), eV:	-9.1(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1-hydroxypyrazol-3-yl)oxymethyl]-3-propan-2-ylbenzoyl bromide

Drug info:

PubChemData

Smile

CC(=C)C1=C(C(=CC=C1)Cl)COC2=NN(C=C2)O

DOS

IR

Vibrations