Geometry & MOs

Info

ID:	149195
PubChem CID:	53788867
Reduced:	NO3C21H25 (1)
Stoich.:	AB3C21D25 (1)
Weight, g/mol:	416.233843
ΔH_f, kcal/mol:	-92.77
Dipole, Da:	5.64
IP(EA), eV:	-9.3(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(difluoromethoxy)-1,3-difluoro-5-[4-[4-(3-methoxypropyl)cyclohexyl]cyclohexyl]benzene

Drug info:

PubChemData

Smile

C1C[C@H](CN(C1)CCOCC2=CC=CC=C2C3=CC=CC=C3)C(=O)O

DOS

IR

Vibrations