Geometry & MOs

Info

ID:	150285
PubChem CID:	53789973
Reduced:	ON3C10H13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	452.208235
ΔH_f, kcal/mol:	-6.07
Dipole, Da:	2.02
IP(EA), eV:	-9.51(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-(4-chlorophenyl)ethyl]-1,3-difluoro-5-[2-[4-(4-methylphenyl)cyclohexyl]ethyl]benzene

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CC(=N)C(=O)N)CN

DOS

IR

Vibrations