Geometry & MOs

Info

ID:	291839
PubChem CID:	113585005
Reduced:	ClO2N5C10H12 (1)
Stoich.:	AB2C5D10E12 (1)
Weight, g/mol:	317.07389
ΔH_f, kcal/mol:	-5.32
Dipole, Da:	3.05
IP(EA), eV:	-9.04(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(4-hydroxybutan-2-ylamino)-2-(2-methylpropyl)pyridazin-3-one

Drug info:

PubChemData

Smile

C#CCN1C(=O)C(=C(C=N1)Cl)NCCNC(=O)N

DOS

IR

Vibrations