Geometry & MOs

Info

ID:	230125
PubChem CID:	87570257
Reduced:	N2O6H11C12 (1)
Stoich.:	A2B6C11D12 (1)
Weight, g/mol:	482.95038
ΔH_f, kcal/mol:	-150.9
Dipole, Da:	6.09
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.762531
Charge, e:	0

Chem-info

IUPAC name:

(2Z)-2-[2-[[4-(2,2-dibromoethenyl)-2-methylphenoxy]methyl]phenyl]-2-methoxyiminoacetic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=[N+](C2=O)CCCC(=O)O)O[N+](=O)[O-]

DOS

IR

Vibrations