Geometry & MOs

Info

ID:	288573
PubChem CID:	104320023
Reduced:	ClN2O2C13H15 (1)
Stoich.:	AB2C2D13E15 (1)
Weight, g/mol:	267.077454
ΔH_f, kcal/mol:	-70.08
Dipole, Da:	5.4
IP(EA), eV:	-10.08(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-chloropyridazin-3-yl)-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)methanone

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)C(=O)C3=CC(=NC=C3)Cl)O

DOS

IR

Vibrations