Geometry & MOs

Info

ID:	261152
PubChem CID:	103220272
Reduced:	FO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	290.093439
ΔH_f, kcal/mol:	-76.58
Dipole, Da:	6.9
IP(EA), eV:	-8.81(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3-chloropyridin-4-yl)methyl]-5-(cyclobutylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

CCCNC1=CC(=O)N(N=C1)CC2=CC(=C(C=C2)OC)F

DOS

IR

Vibrations