Geometry & MOs

Info

ID:	272985
PubChem CID:	103769594
Reduced:	NF2O4C12H15 (1)
Stoich.:	AB2C4D12E15 (1)
Weight, g/mol:	235.138385
ΔH_f, kcal/mol:	-243.33
Dipole, Da:	5.8
IP(EA), eV:	-8.82(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,3-difluoro-2-hydroxypropyl)-4-methylcyclohexane-1-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCC(C(F)F)O)OC

DOS

IR

Vibrations