Geometry & MOs

Info

ID:	380420
PubChem CID:	134970865
Reduced:	FCl2N2C7H13 (1)
Stoich.:	AB2C2D7E13 (1)
Weight, g/mol:	349.131408
ΔH_f, kcal/mol:	31.9
Dipole, Da:	21.52
IP(EA), eV:	-6.09(-2.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-4-anilino-3-hydroxy-2,2-dimethyl-3,4-dihydrobenzo[g]chromene-5,10-dione

Drug info:

PubChemData

Smile

C1C[N+]2(CC[N+]1(CC2)C(Cl)Cl)F

DOS

IR

Vibrations