Geometry & MOs

Info

ID:	25718
PubChem CID:	629618
Reduced:	OCl2N5H11C13 (1)
Stoich.:	AB2C5D11E13 (1)
Weight, g/mol:	324.111007
ΔH_f, kcal/mol:	25.06
Dipole, Da:	4.83
IP(EA), eV:	-9.21(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(N-hydroxy-C-methylcarbonimidoyl)-1-oxobenzo[c]quinolizine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=O)N=C(N1)NC2=NC3=CC(=C(C=C3N2C)Cl)Cl

DOS

IR

Vibrations