Geometry & MOs

Info

ID:	45320
PubChem CID:	10511149
Reduced:	NC11H13 (1)
Stoich.:	AB11C13 (1)
Weight, g/mol:	160.048407
ΔH_f, kcal/mol:	53.03
Dipole, Da:	4.96
IP(EA), eV:	-9.3(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4R,5S)-4,5-dihydroxy-3-(hydroxymethyl)-4,5-dihydro-1H-pyridazin-6-one

Drug info:

PubChemData

Smile

C=CC1=C(CCCC1)/C=C/C#N

DOS

IR

Vibrations