Geometry & MOs

Info

ID:

67188

PubChem CID:

46506030

Reduced:

ClO2N3H15C16 (1)

Stoich.:

AB2C3D15E16 (1)

Weight, g/mol:

422.127144

ΔHf, kcal/mol:

-27.19

Dipole, Da:

4.15

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 0.951115

Charge, e:

 1

Chem-info

IUPAC name:

N-(4-chlorophenyl)-2-(4-ethoxyphenyl)-3-oxo-1,4-dihydropyrido[1,2-a]pyrazin-5-ium-1-carboxamide

Drug info:

PubChemData

Smile

CN1C(C2=CC=CC=[N+]2CC1=O)C(=O)NC3=CC=C(C=C3)Cl

DOS

IR

Vibrations