Geometry & MOs

Info

ID:	374352
PubChem CID:	131327352
Reduced:	Cl2N4C9H12 (1)
Stoich.:	A2B4C9D12 (1)
Weight, g/mol:	224.079707
ΔH_f, kcal/mol:	25.27
Dipole, Da:	1.98
IP(EA), eV:	-8.97(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-amino-3-(hydroxymethyl)-6-nitro-1,2-dihydroinden-4-ol

Drug info:

PubChemData

Smile

C1CCN[C@H](C1)C2=C(N=C(N=C2Cl)N)Cl

DOS

IR

Vibrations