Geometry & MOs

Info

ID:	225530
PubChem CID:	85852757
Reduced:	ON4C18H26 (1)
Stoich.:	AB4C18D26 (1)
Weight, g/mol:	498.17822
ΔH_f, kcal/mol:	-15.01
Dipole, Da:	3.71
IP(EA), eV:	-8.68(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[3,5-difluoro-4-(3-fluoro-4-propylphenyl)phenyl]-2-fluorophenyl]-2,3-difluoro-4-propylbenzene

Drug info:

PubChemData

Smile

C1CC2C(CC1N3CCNCC3)NC(=O)C(N2)C4=CC=CC=C4

DOS

IR

Vibrations