Geometry & MOs

Info

ID:	283701
PubChem CID:	103999688
Reduced:	N2F3O3H11C12 (1)
Stoich.:	A2B3C3D11E12 (1)
Weight, g/mol:	290.163043
ΔH_f, kcal/mol:	-260.35
Dipole, Da:	1.37
IP(EA), eV:	-10.04(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl(2-methylbutyl)carbamoyl]-1,3-dihydroisoindole-5-carboxylic acid

Drug info:

PubChemData

Smile

C1C2=C(CN1C(=O)NCC(F)(F)F)C=C(C=C2)C(=O)O

DOS

IR

Vibrations