Geometry & MOs

Info

ID:	373127
PubChem CID:	131310392
Reduced:	NO2S2C11H13 (1)
Stoich.:	AB2C2D11E13 (1)
Weight, g/mol:	270.00039
ΔH_f, kcal/mol:	-28.55
Dipole, Da:	1.24
IP(EA), eV:	-8.21(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-6-bromo-7-nitro-1,2,3,4-tetrahydronaphthalen-2-amine

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)N)C2=C(C(=CS2)OC)OC

DOS

IR

Vibrations