Geometry & MOs

Info

ID:	291874
PubChem CID:	113585124
Reduced:	BrON3C12H12 (1)
Stoich.:	ABC3D12E12 (1)
Weight, g/mol:	251.08254
ΔH_f, kcal/mol:	53.63
Dipole, Da:	5.66
IP(EA), eV:	-9.15(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-(cyclopent-3-en-1-ylamino)-2-prop-2-enylpyridazin-3-one

Drug info:

PubChemData

Smile

C#CCN1C(=O)C(=C(C=N1)NC2CC=CC2)Br

DOS

IR

Vibrations