Geometry & MOs

Info

ID:	132636
PubChem CID:	51389612
Reduced:	OSN4C11H22 (1)
Stoich.:	ABC4D11E22 (1)
Weight, g/mol:	367.99223
ΔH_f, kcal/mol:	-30.25
Dipole, Da:	5.85
IP(EA), eV:	-8.38(0.48)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

3-[(3-bromo-2-oxonaphthalen-1-ylidene)methylamino]benzoate

Drug info:

PubChemData

Smile

CN1CCN(CC1)NC(=S)NC[C@@H]2CCCO2

DOS

IR

Vibrations