Geometry & MOs

Info

ID:	148042
PubChem CID:	53787704
Reduced:	O2N3C19H21 (1)
Stoich.:	A2B3C19D21 (1)
Weight, g/mol:	522.286485
ΔH_f, kcal/mol:	-3.26
Dipole, Da:	2.28
IP(EA), eV:	-8.34(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-2-fluoro-4-[2-fluoro-4-[2-[4-[2-(4-hexylphenyl)ethyl]cyclohexyl]ethyl]phenyl]benzene

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)N2C(=O)C=C(N2)CC3=CN=CC=C3

DOS

IR

Vibrations