Geometry & MOs

Info

ID:	374759
PubChem CID:	131342639
Reduced:	NOCl2F3H6C8 (1)
Stoich.:	ABC2D3E6F8 (1)
Weight, g/mol:	245.98505
ΔH_f, kcal/mol:	-201.77
Dipole, Da:	4.25
IP(EA), eV:	-10.09(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-5,7-dichloro-3,4-dihydro-2H-chromene-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=NC(=C1CCl)OC(F)(F)F)Cl

DOS

IR

Vibrations