Geometry & MOs

Info

ID:	410143
PubChem CID:	135082934
Reduced:	BrNO3H12C17 (1)
Stoich.:	ABC3D12E17 (1)
Weight, g/mol:	360.147393
ΔH_f, kcal/mol:	-33.17
Dipole, Da:	2.19
IP(EA), eV:	-8.53(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-diazonio-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenolate

Drug info:

PubChemData

Smile

C1CN=C(C2=CC3=C(C=C21)OCO3)C(=O)C4=CC=CC=C4Br

DOS

IR

Vibrations