Geometry & MOs

Info

ID:	291832
PubChem CID:	113584964
Reduced:	ClF2N3O3C9H10 (1)
Stoich.:	AB2C3D3E9F10 (1)
Weight, g/mol:	273.088019
ΔH_f, kcal/mol:	-194.17
Dipole, Da:	5.59
IP(EA), eV:	-9.25(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-5-[(1,3-dihydroxy-2-methylpropan-2-yl)amino]-2-prop-2-enylpyridazin-3-one

Drug info:

PubChemData

Smile

COC(=O)CN1C(=O)C(=C(C=N1)NCC(F)F)Cl

DOS

IR

Vibrations