Geometry & MOs

Info

ID:	128150
PubChem CID:	51032818
Reduced:	BrO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	234.093918
ΔH_f, kcal/mol:	-38.51
Dipole, Da:	3.06
IP(EA), eV:	-9.84(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(5-pyridin-3-yl-1H-imidazol-2-yl)sulfanyl]propan-1-amine

Drug info:

PubChemData

Smile

C1CC1C(=O)C(C2=CC=CC=C2Br)O

DOS

IR

Vibrations