Geometry & MOs

Info

ID:	291812
PubChem CID:	113584874
Reduced:	ClON3C13H18 (1)
Stoich.:	ABC3D13E18 (1)
Weight, g/mol:	265.09819
ΔH_f, kcal/mol:	-24.75
Dipole, Da:	5.81
IP(EA), eV:	-8.82(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)N1C(=O)C(=C(C=N1)NC2CCC=CC2)Cl

DOS

IR

Vibrations