Geometry & MOs

Info

ID:	291805
PubChem CID:	113584857
Reduced:	BrO2N3C12H20 (1)
Stoich.:	AB2C3D12E20 (1)
Weight, g/mol:	271.108754
ΔH_f, kcal/mol:	-76.67
Dipole, Da:	5.02
IP(EA), eV:	-9.0(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-ethyl-5-[(1-hydroxycyclopentyl)methylamino]pyridazin-3-one

Drug info:

PubChemData

Smile

CCC(CC)(CNC1=C(C(=O)N(N=C1)CC)Br)O

DOS

IR

Vibrations