Geometry & MOs

Info

ID:	372904
PubChem CID:	131306810
Reduced:	NO4C9H11 (1)
Stoich.:	AB4C9D11 (1)
Weight, g/mol:	233.001034
ΔH_f, kcal/mol:	-147.82
Dipole, Da:	3.93
IP(EA), eV:	-9.04(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-amino-6,8-dichloro-3,4-dihydro-1H-isochromen-7-ol

Drug info:

PubChemData

Smile

C1[C@@H](C2=CC(=C(C(=C2CO1)O)O)O)N

DOS

IR

Vibrations