Geometry & MOs

Info

ID:	225677
PubChem CID:	87225350
Reduced:	SO6N7H23C28 (1)
Stoich.:	AB6C7D23E28 (1)
Weight, g/mol:	287.99972
ΔH_f, kcal/mol:	-39.07
Dipole, Da:	10.52
IP(EA), eV:	-9.22(-1.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-6-(2-methoxyethoxymethoxy)benzaldehyde

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)[N+](=O)[O-])C2=CC(=C/C(=C/3\NC4=C(N3)C=C(C=C4)C(=N)N)/C2=O)S(=O)(=O)NC(=O)CCC5=CN=CC=C5

DOS

IR

Vibrations