Geometry & MOs

Info

ID:	161397
PubChem CID:	57391535
Reduced:	OF3N6H15C16 (1)
Stoich.:	AB3C6D15E16 (1)
Weight, g/mol:	510.90891
ΔH_f, kcal/mol:	-87.42
Dipole, Da:	4.47
IP(EA), eV:	-9.46(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-6-[(5-bromo-2,4-dihydroxyphenyl)-(3-nitrophenyl)methyl]benzene-1,3-diol

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)N)CN2C=C(N=N2)COC3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations