Geometry & MOs

Info

ID:	291813
PubChem CID:	113584875
Reduced:	ClON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	311.03817
ΔH_f, kcal/mol:	7.04
Dipole, Da:	5.55
IP(EA), eV:	-8.9(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(1H-imidazol-5-ylmethylamino)-2-propylpyridazin-3-one

Drug info:

PubChemData

Smile

C=CCN1C(=O)C(=C(C=N1)NC2CCC=CC2)Cl

DOS

IR

Vibrations