Geometry & MOs

Info

ID:	440690
PubChem CID:	135230969
Reduced:	ON4C7H15 (2)
Stoich.:	AB4C7D15 (2)
Weight, g/mol:	390.198206
ΔH_f, kcal/mol:	-64.57
Dipole, Da:	3.29
IP(EA), eV:	-9.24(0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[1,1-difluoro-2-[4-(4-methylcyclohexyl)cyclohexyl]ethoxy]-1,2,3-trifluorobenzene

Drug info:

PubChemData

Smile

CCC(=O)[C@@H](CNC(=NCC(C)C(=O)[C@@H](CCN=C(N)N)N)N)N

DOS

IR

Vibrations