Geometry & MOs

Info

ID:	133404
PubChem CID:	51521826
Reduced:	O12H20C21 (1)
Stoich.:	A12B20C21 (1)
Weight, g/mol:	347.00313
ΔH_f, kcal/mol:	-442.12
Dipole, Da:	10.97
IP(EA), eV:	-8.98(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-[(2Z)-2-[(5-bromo-2-methoxyphenyl)methylidene]hydrazinyl]benzoate

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C2=CC(=O)C3=C(O2)C=C(C(=C3O)O[C@H]4[C@H]([C@@H]([C@@H]([C@@H](O4)CO)O)O)O)O)O)O

DOS

IR

Vibrations