Geometry & MOs

Info

ID:	18030
PubChem CID:	534507
Reduced:	ClNO2C16H18 (1)
Stoich.:	ABC2D16E18 (1)
Weight, g/mol:	291.102606
ΔH_f, kcal/mol:	-48.16
Dipole, Da:	8.13
IP(EA), eV:	-9.1(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-4-(hexylamino)naphthalene-1,2-dione

Drug info:

PubChemData

Smile

CCCCCCNC1=C(C(=O)C(=O)C2=CC=CC=C21)Cl

DOS

IR

Vibrations