Geometry & MOs

Info

ID:	436011
PubChem CID:	135193346
Reduced:	NO2H8C11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	404.289072
ΔH_f, kcal/mol:	-72.19
Dipole, Da:	4.81
IP(EA), eV:	-8.86(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[4-(4-ethenylcyclohexyl)cyclohexyl]methoxy]-2,3-difluoro-4-pentylbenzene

Drug info:

PubChemData

Smile

C/C=C\1/C(=O)N(C(=O)/C1=C/C)C2=CC=CC(=C2)N3C(=O)C4=CC=CC=C4C3=O

DOS

IR

Vibrations