Geometry & MOs

Info

ID:	372176
PubChem CID:	131294157
Reduced:	ClN4H9C10 (1)
Stoich.:	AB4C9D10 (1)
Weight, g/mol:	268.05751
ΔH_f, kcal/mol:	67.69
Dipole, Da:	2.67
IP(EA), eV:	-9.4(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S)-1-(4-bromo-5,6,7,8-tetrahydronaphthalen-1-yl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

C1=CNC2=NC=C(C(=C21)[C@@H](CC#N)N)Cl

DOS

IR

Vibrations