Geometry & MOs

Info

ID:	267521
PubChem CID:	103582546
Reduced:	BrClSN2O2C9H12 (1)
Stoich.:	ABCD2E2F9G12 (1)
Weight, g/mol:	346.04475
ΔH_f, kcal/mol:	-71.63
Dipole, Da:	3.53
IP(EA), eV:	-8.95(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[(5-bromo-3-chloropyridin-2-yl)amino]methyl]-4,4-dimethylcyclohexan-1-ol

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)C)NC1=C(C=C(C=N1)Br)Cl

DOS

IR

Vibrations