Geometry & MOs

Info

ID:	275745
PubChem CID:	103817373
Reduced:	ClN3O3C10H14 (1)
Stoich.:	AB3C3D10E14 (1)
Weight, g/mol:	193.085127
ΔH_f, kcal/mol:	-87.93
Dipole, Da:	7.31
IP(EA), eV:	-9.61(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R)-3-hydroxypyrrolidin-1-yl]-pyridazin-4-ylmethanone

Drug info:

PubChemData

Smile

CN(CC(COC)O)C(=O)C1=CN=C(C=N1)Cl

DOS

IR

Vibrations