Geometry & MOs

Info

ID:	268565
PubChem CID:	103600028
Reduced:	BrFINOH12C15 (1)
Stoich.:	ABCDEF12G15 (1)
Weight, g/mol:	463.99602
ΔH_f, kcal/mol:	-16.58
Dipole, Da:	5.0
IP(EA), eV:	-9.49(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[[1-(dimethylamino)cyclohexyl]methyl]-2-iodobenzamide

Drug info:

PubChemData

Smile

CN(CC1=CC=CC=C1F)C(=O)C2=C(C=CC(=C2)Br)I

DOS

IR

Vibrations