Geometry & MOs

Info

ID:	433200
PubChem CID:	135173337
Reduced:	ON7C20H23 (1)
Stoich.:	AB7C20D23 (1)
Weight, g/mol:	273.01868
ΔH_f, kcal/mol:	52.03
Dipole, Da:	3.1
IP(EA), eV:	-8.62(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(bromomethyl)phenyl]sulfanyl-N-ethylethanamine

Drug info:

PubChemData

Smile

C[C@@H]1CN(CCN1C(=O)C)C2=NC=C(C=N2)C3=NC4=C(C=C3)N=C5N4CCC5

DOS

IR

Vibrations