Geometry & MOs

Info

ID:	216827
PubChem CID:	85086841
Reduced:	ClO5C9H13 (1)
Stoich.:	AB5C9D13 (1)
Weight, g/mol:	306.10093
ΔH_f, kcal/mol:	-185.18
Dipole, Da:	2.4
IP(EA), eV:	-10.61(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

6-chloro-2-(2-oxo-2-piperidin-1-ylethyl)-6H-cinnolin-2-ium-4-one

Drug info:

PubChemData

Smile

CC1(OC2C3C(C(C(C2O1)(O3)Cl)O)O)C

DOS

IR

Vibrations