Geometry & MOs

Info

ID:	284078
PubChem CID:	104033866
Reduced:	Br2N3C13H13 (1)
Stoich.:	A2B3C13D13 (1)
Weight, g/mol:	217.121512
ΔH_f, kcal/mol:	46.94
Dipole, Da:	1.4
IP(EA), eV:	-8.66(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[1-(5-methylfuran-2-yl)ethyl]pyridine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=NC=CC(=C1)NC2=C(C=CC(=C2)Br)Br

DOS

IR

Vibrations