Geometry & MOs

Info

ID:	372287
PubChem CID:	131295544
Reduced:	ClN2C12H13 (1)
Stoich.:	AB2C12D13 (1)
Weight, g/mol:	211.040006
ΔH_f, kcal/mol:	26.08
Dipole, Da:	2.64
IP(EA), eV:	-9.5(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-7-nitro-1,2,3,4-tetrahydronaphthalene

Drug info:

PubChemData

Smile

C1CC2=C(C1)C(=CC(=C2)[C@@H](CC#N)N)Cl

DOS

IR

Vibrations