Geometry & MOs

Info

ID:	246055
PubChem CID:	103040842
Reduced:	FCl2H17C18 (1)
Stoich.:	AB2C17D18 (1)
Weight, g/mol:	318.01862
ΔH_f, kcal/mol:	-42.91
Dipole, Da:	2.95
IP(EA), eV:	-9.49(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-2-[(3-chloro-4-fluorophenyl)methyl]cycloheptane

Drug info:

PubChemData

Smile

C1CC(C(C2=CC=CC=C2C1)Cl)CC3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations