Geometry & MOs

Info

ID:	246073
PubChem CID:	103041767
Reduced:	ClFN2C17H24 (1)
Stoich.:	ABC2D17E24 (1)
Weight, g/mol:	374.08122
ΔH_f, kcal/mol:	-54.18
Dipole, Da:	3.26
IP(EA), eV:	-8.57(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[1-(bromomethyl)-4-tert-butylcyclohexyl]methyl]-2-chloro-1-fluorobenzene

Drug info:

PubChemData

Smile

C1CCC(CC1)C2CNCCN2CC3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations