Geometry & MOs

Info

ID:	163198
PubChem CID:	57654740
Reduced:	OC33H48 (1)
Stoich.:	AB33C48 (1)
Weight, g/mol:	414.273422
ΔH_f, kcal/mol:	-86.9
Dipole, Da:	1.77
IP(EA), eV:	-8.7(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-difluoro-5-methyl-2-[[4-[2-(4-pentylphenyl)ethyl]cyclohexyl]methoxy]benzene

Drug info:

PubChemData

Smile

CCCCCC1CCC(CC1)C2CCC(CC2)COC3=C(C=C(C=C3C)C4=CC=C(C=C4)C)C

DOS

IR

Vibrations