Geometry & MOs

Info

ID:	19557
PubChem CID:	567677
Reduced:	ClN3O3C21H22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	399.134969
ΔH_f, kcal/mol:	-69.18
Dipole, Da:	2.89
IP(EA), eV:	-8.55(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloropyridin-2-yl)-3-(1-hydroxy-2-morpholin-4-ylethyl)-6-methylquinolizin-4-one

Drug info:

PubChemData

Smile

CC1=CC=CC2=C(C=C(C(=O)N12)C(CN3CCOCC3)O)C4=NC(=CC=C4)Cl

DOS

IR

Vibrations