Geometry & MOs

Info

ID:	246174
PubChem CID:	103047820
Reduced:	ClFOSBr2H8C12 (1)
Stoich.:	ABCDE2F8G12 (1)
Weight, g/mol:	255.119005
ΔH_f, kcal/mol:	-43.75
Dipole, Da:	1.76
IP(EA), eV:	-9.6(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-chloro-2-fluorophenyl)methyl]-3-methylcyclohexan-1-amine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)CC(C2=CC(=C(S2)Br)Br)O)F

DOS

IR

Vibrations