Geometry & MOs

Info

ID:	291891
PubChem CID:	113585180
Reduced:	BrO2N3C11H16 (1)
Stoich.:	AB2C3D11E16 (1)
Weight, g/mol:	273.088019
ΔH_f, kcal/mol:	-54.54
Dipole, Da:	5.31
IP(EA), eV:	-9.35(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(2-hydroxyethyl)-5-[(3-methyloxolan-3-yl)amino]pyridazin-3-one

Drug info:

PubChemData

Smile

CCN1C(=O)C(=C(C=N1)NC2(CCOC2)C)Br

DOS

IR

Vibrations