Geometry & MOs

Info

ID:	372995
PubChem CID:	131308390
Reduced:	SN2C8H8 (1)
Stoich.:	AB2C8D8 (1)
Weight, g/mol:	228.03017
ΔH_f, kcal/mol:	56.92
Dipole, Da:	3.41
IP(EA), eV:	-8.41(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CN(C=C1)C2=CSC(=C2)N

DOS

IR

Vibrations