Geometry & MOs

Info

ID:	372629
PubChem CID:	131301160
Reduced:	SN2O3H6C9 (1)
Stoich.:	AB2C3D6E9 (1)
Weight, g/mol:	222.019605
ΔH_f, kcal/mol:	-4.99
Dipole, Da:	6.17
IP(EA), eV:	-9.03(-1.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-7-nitronaphthalen-1-amine

Drug info:

PubChemData

Smile

C1=CC(=O)SC2=C1C(=C(C=C2)N)[N+](=O)[O-]

DOS

IR

Vibrations