Geometry & MOs

Info

ID:	372903
PubChem CID:	131306806
Reduced:	ClNOF2H8C9 (1)
Stoich.:	ABCD2E8F9 (1)
Weight, g/mol:	197.068808
ΔH_f, kcal/mol:	-120.7
Dipole, Da:	1.57
IP(EA), eV:	-9.78(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R)-4-amino-3,4-dihydro-1H-isochromene-6,7,8-triol

Drug info:

PubChemData

Smile

C1[C@@H](C2=C(C(=C(C=C2CO1)F)Cl)F)N

DOS

IR

Vibrations