Geometry & MOs

Info

ID:	379327
PubChem CID:	134358361
Reduced:	NO2C6H13 (1)
Stoich.:	AB2C6D13 (1)
Weight, g/mol:	434.336022
ΔH_f, kcal/mol:	-109.25
Dipole, Da:	3.53
IP(EA), eV:	-9.73(2.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-ethoxy-2,3-difluoro-4-[4-(4-octylcyclohexyl)cyclohexyl]benzene

Drug info:

PubChemData

Smile

C1[C@@H](CC([C@H]1O)CO)N

DOS

IR

Vibrations