Geometry & MOs

Info

ID:	48483
PubChem CID:	10587213
Reduced:	ClO3C13H17 (1)
Stoich.:	AB3C13D17 (1)
Weight, g/mol:	255.980633
ΔH_f, kcal/mol:	-122.46
Dipole, Da:	4.97
IP(EA), eV:	-8.86(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6,7-dichloro-3-nitronaphthalen-2-amine

Drug info:

PubChemData

Smile

C1CCOC(C1)OCCOC2=CC=C(C=C2)Cl

DOS

IR

Vibrations