Geometry & MOs

Info

ID:	291574
PubChem CID:	113445219
Reduced:	ON3C13H19 (1)
Stoich.:	AB3C13D19 (1)
Weight, g/mol:	327.9978
ΔH_f, kcal/mol:	-15.76
Dipole, Da:	4.92
IP(EA), eV:	-8.78(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromofuran-2-yl)-N-(3-chloro-4-methylphenyl)ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC(CCC1=NC2=C(C=CC=C2N1)CN)OC

DOS

IR

Vibrations