Geometry & MOs

Info

ID:	291818
PubChem CID:	113584883
Reduced:	ClO2N3C12H18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	313.04259
ΔH_f, kcal/mol:	-78.01
Dipole, Da:	4.41
IP(EA), eV:	-8.97(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-2-(cyclopropylmethyl)-5-[(3-hydroxycyclobutyl)amino]pyridazin-3-one

Drug info:

PubChemData

Smile

CCN1C(=O)C(=C(C=N1)NCC2CCCC2O)Cl

DOS

IR

Vibrations