Geometry & MOs

Info

ID:	291830
PubChem CID:	113584962
Reduced:	BrOF2N4C10H15 (1)
Stoich.:	ABC2D4E10F15 (1)
Weight, g/mol:	277.079346
ΔH_f, kcal/mol:	-106.64
Dipole, Da:	6.12
IP(EA), eV:	-8.83(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(cyclobutylmethyl)-4-(2,2-difluoroethylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

CN(C)CCN1C(=O)C(=C(C=N1)NCC(F)F)Br

DOS

IR

Vibrations