Geometry & MOs

Info

ID:	291820
PubChem CID:	113584892
Reduced:	ClO2N3C12H16 (1)
Stoich.:	AB2C3D12E16 (1)
Weight, g/mol:	273.124405
ΔH_f, kcal/mol:	-40.65
Dipole, Da:	4.07
IP(EA), eV:	-9.08(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[(4-hydroxy-2-methylbutyl)amino]-2-propylpyridazin-3-one

Drug info:

PubChemData

Smile

C=CCN1C(=O)C(=C(C=N1)NCC2CC(C2)O)Cl

DOS

IR

Vibrations