Geometry & MOs

Info

ID:	286179
PubChem CID:	104158704
Reduced:	O2N3C15H25 (1)
Stoich.:	A2B3C15D25 (1)
Weight, g/mol:	317.07389
ΔH_f, kcal/mol:	-77.51
Dipole, Da:	6.41
IP(EA), eV:	-8.88(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-methyl-5-(4-propan-2-yloxybutylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)OCCCCNC1=CC(=NC=C1)C(=O)N(C)C

DOS

IR

Vibrations