Geometry & MOs

Info

ID:	291840
PubChem CID:	113585008
Reduced:	BrO2N3C12H20 (1)
Stoich.:	AB2C3D12E20 (1)
Weight, g/mol:	271.108754
ΔH_f, kcal/mol:	-82.17
Dipole, Da:	6.46
IP(EA), eV:	-9.09(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-2-(cyclopropylmethyl)-4-(4-hydroxybutan-2-ylamino)pyridazin-3-one

Drug info:

PubChemData

Smile

CC(C)CN1C(=O)C(=C(C=N1)NC(C)CCO)Br

DOS

IR

Vibrations