Geometry & MOs

Info

ID:	381616
PubChem CID:	134972405
Reduced:	SC8H14 (1)
Stoich.:	AB8C14 (1)
Weight, g/mol:	334.168128
ΔH_f, kcal/mol:	12.1
Dipole, Da:	1.74
IP(EA), eV:	-8.56(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzylamino)-3-(butylamino)naphthalene-1,4-dione

Drug info:

PubChemData

Smile

CCC#CCCSCC

DOS

IR

Vibrations