Geometry & MOs

Info

ID:	291823
PubChem CID:	113584926
Reduced:	BrO2N3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	273.124405
ΔH_f, kcal/mol:	-64.69
Dipole, Da:	5.66
IP(EA), eV:	-8.97(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-(5-hydroxypentan-2-ylamino)-2-propan-2-ylpyridazin-3-one

Drug info:

PubChemData

Smile

CCN1C(=O)C(=C(C=N1)NCC2(CCCO2)C)Br

DOS

IR

Vibrations