Geometry & MOs

Info

ID:	291807
PubChem CID:	113584859
Reduced:	BrON5C11H14 (1)
Stoich.:	ABC5D11E14 (1)
Weight, g/mol:	305.0375
ΔH_f, kcal/mol:	22.87
Dipole, Da:	3.65
IP(EA), eV:	-9.08(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-(1,3-dihydroxypropan-2-ylamino)-2-propylpyridazin-3-one

Drug info:

PubChemData

Smile

CCN1C(=O)C(=C(C=N1)NCCC2=CN=CN2)Br

DOS

IR

Vibrations