Geometry & MOs

Info

ID:	52321
PubChem CID:	12015148
Reduced:	NOF2C10H13 (1)
Stoich.:	ABC2D10E13 (1)
Weight, g/mol:	201.09652
ΔH_f, kcal/mol:	-153.67
Dipole, Da:	2.96
IP(EA), eV:	-9.62(0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3-difluoro-2,6-dimethyl-3a,4,7,7a-tetrahydroisoindol-1-one

Drug info:

PubChemData

Smile

CC1=CCC2C(C1)C(N(C2=O)C)(F)F

DOS

IR

Vibrations