Geometry & MOs

Info

ID:	267787
PubChem CID:	103589230
Reduced:	BrON2H13C16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	404.91467
ΔH_f, kcal/mol:	30.78
Dipole, Da:	2.95
IP(EA), eV:	-8.82(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-[(3-bromo-5-nitrophenoxy)methyl]-1,3-dimethylpyrazole

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2N=C1OC3=CC(=CC(=C3)N)Br

DOS

IR

Vibrations