Geometry & MOs

Info

ID:	205330
PubChem CID:	80086921
Reduced:	BrClON2C15H16 (1)
Stoich.:	ABCD2E15F16 (1)
Weight, g/mol:	321.99061
ΔH_f, kcal/mol:	3.48
Dipole, Da:	6.1
IP(EA), eV:	-8.61(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-(3-bromo-4-chlorophenyl)-4-methylsulfanylbutane-1,2-diamine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C(CN)NC2=CC(=C(C=C2)Cl)Br

DOS

IR

Vibrations