Geometry & MOs

Info

ID:	206090
PubChem CID:	80201391
Reduced:	BrN4C12H13 (1)
Stoich.:	AB4C12D13 (1)
Weight, g/mol:	239.117095
ΔH_f, kcal/mol:	54.19
Dipole, Da:	5.91
IP(EA), eV:	-9.29(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-(propylamino)pyridazin-3-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CCC1=C(N=C(N=C1N)C2=CC(=CN=C2)Br)C

DOS

IR

Vibrations