Geometry & MOs

Info

ID:	372828
PubChem CID:	131305547
Reduced:	ClSN3C10H10 (1)
Stoich.:	ABC3D10E10 (1)
Weight, g/mol:	228.03017
ΔH_f, kcal/mol:	58.33
Dipole, Da:	1.75
IP(EA), eV:	-9.53(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-7-nitro-3,4-dihydro-2H-chromen-3-amine

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Cl)CC2=NSC(=N2)CN

DOS

IR

Vibrations