Geometry & MOs

Info

ID:	246205
PubChem CID:	103049292
Reduced:	ClFON2C16H18 (1)
Stoich.:	ABCD2E16F18 (1)
Weight, g/mol:	316.116084
ΔH_f, kcal/mol:	-54.5
Dipole, Da:	4.19
IP(EA), eV:	-9.09(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-tert-butyl-2-chlorocyclohexyl)methyl]-4-chloro-1-fluorobenzene

Drug info:

PubChemData

Smile

CCC(CC1=NC=C(C=C1)OCC2=C(C=CC(=C2)Cl)F)N

DOS

IR

Vibrations