Geometry & MOs

Info

ID:	270558
PubChem CID:	103637103
Reduced:	BrSN2O3C13H19 (1)
Stoich.:	ABC2D3E13F19 (1)
Weight, g/mol:	351.04456
ΔH_f, kcal/mol:	-117.75
Dipole, Da:	3.61
IP(EA), eV:	-8.95(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-[[[2-(trifluoromethyl)cyclohexyl]amino]methyl]phenol

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCC(CC1)NCC2=C(C=CC(=C2)Br)O

DOS

IR

Vibrations