Geometry & MOs

Info

ID:	291829
PubChem CID:	113584959
Reduced:	BrO2N3C11H18 (1)
Stoich.:	AB2C3D11E18 (1)
Weight, g/mol:	324.03973
ΔH_f, kcal/mol:	-75.02
Dipole, Da:	4.0
IP(EA), eV:	-9.13(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(2,2-difluoroethylamino)-2-[2-(dimethylamino)ethyl]pyridazin-3-one

Drug info:

PubChemData

Smile

CCN1C(=O)C(=C(C=N1)NCC(C)(C)CO)Br

DOS

IR

Vibrations