Geometry & MOs

Info

ID:	320590
PubChem CID:	126661951
Reduced:	ON2C6H12 (1)
Stoich.:	AB2C6D12 (1)
Weight, g/mol:	400.176248
ΔH_f, kcal/mol:	-2.97
Dipole, Da:	1.65
IP(EA), eV:	-9.08(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-difluoro-N-[4-[(4-fluorophenyl)methyl-prop-2-ynylamino]phenyl]cyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

CN1CC/C(=N\OC)/C1

DOS

IR

Vibrations