Geometry & MOs

Info

ID:	27362
PubChem CID:	820924
Reduced:	ClNOH12C16 (1)
Stoich.:	ABCD12E16 (1)
Weight, g/mol:	201.102788
ΔH_f, kcal/mol:	18.89
Dipole, Da:	4.52
IP(EA), eV:	-9.43(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,3-dimethylquinolizin-5-ium-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CN=C2[C@H](C3=CC(=CC=C3)Cl)O

DOS

IR

Vibrations