Geometry & MOs

Info

ID:	33735
PubChem CID:	7887820
Reduced:	ClFN2O4H12C17 (1)
Stoich.:	ABC2D4E12F17 (1)
Weight, g/mol:	267.143471
ΔH_f, kcal/mol:	-142.89
Dipole, Da:	11.24
IP(EA), eV:	-9.4(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2,4-difluorobenzamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)C(=O)OCC(=O)NC2=CC(=C(C=C2)C#N)Cl)F

DOS

IR

Vibrations