Geometry & MOs

Info

ID:	310373
PubChem CID:	126579370
Reduced:	BrN2O4C14H15 (1)
Stoich.:	AB2C4D14E15 (1)
Weight, g/mol:	375.88812
ΔH_f, kcal/mol:	-62.16
Dipole, Da:	3.35
IP(EA), eV:	-9.15(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-2-[(1-hydroxypyrazol-3-yl)oxymethyl]benzoyl bromide

Drug info:

PubChemData

Smile

CCCOC(=O)C1=C(C(=CC=C1)Br)COC2=NN(C=C2)O

DOS

IR

Vibrations