Geometry & MOs

Info

ID:	291836
PubChem CID:	113584986
Reduced:	BrON4C12H21 (1)
Stoich.:	ABC4D12E21 (1)
Weight, g/mol:	312.05857
ΔH_f, kcal/mol:	-25.79
Dipole, Da:	7.19
IP(EA), eV:	-8.87(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(piperidin-1-ylamino)-2-prop-2-enylpyridazin-3-one

Drug info:

PubChemData

Smile

CCCN1C(=O)C(=C(C=N1)NC(C)CN(C)C)Br

DOS

IR

Vibrations