Geometry & MOs

Info

ID:	233331
PubChem CID:	89650245
Reduced:	NO6C17H23 (1)
Stoich.:	AB6C17D23 (1)
Weight, g/mol:	514.155433
ΔH_f, kcal/mol:	-255.51
Dipole, Da:	7.14
IP(EA), eV:	-9.71(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-[difluoro-(4-propylcyclohexyl)methoxy]phenyl]-difluoromethoxy]-1,3-difluoro-2-(trifluoromethyl)benzene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCOC(C1)COC2=CC=CC=C2C(=O)O

DOS

IR

Vibrations