Geometry & MOs

Info

ID:	293471
PubChem CID:	117390631
Reduced:	FNO4C12H14 (1)
Stoich.:	ABC4D12E14 (1)
Weight, g/mol:	255.107085
ΔH_f, kcal/mol:	-190.78
Dipole, Da:	2.44
IP(EA), eV:	-9.04(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[6-(difluoromethyl)-1,3-benzodioxol-4-yl]-2-methylpyrrolidine

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2C(CCC(=O)O)N)F

DOS

IR

Vibrations