Geometry & MOs

Info

ID:	28836
PubChem CID:	829952
Reduced:	O2F3N3C14H14 (1)
Stoich.:	A2B3C3D14E14 (1)
Weight, g/mol:	349.092578
ΔH_f, kcal/mol:	-185.33
Dipole, Da:	5.45
IP(EA), eV:	-9.95(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-3-methyl-1-oxo-N-[3-(trifluoromethyl)phenyl]-4H-isochromene-3-carboxamide

Drug info:

PubChemData

Smile

C1CCC2=NN([C@@]([C@@H]2C1)(C(F)(F)F)O)C(=O)C3=CC=NC=C3

DOS

IR

Vibrations