Geometry & MOs

Info

ID:	166759
PubChem CID:	74731108
Reduced:	ION2C20H22 (1)
Stoich.:	ABC2D20E22 (1)
Weight, g/mol:	396.111494
ΔH_f, kcal/mol:	77.91
Dipole, Da:	14.3
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.843720
Charge, e:	-1

Chem-info

IUPAC name:

1'-(3-chloro-4-methylphenyl)-1,6-dimethyl-2',6'-dioxospiro[2,4-dihydroquinoline-3,5'-pyrimidine]-4'-olate

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CC=CC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)I

DOS

IR

Vibrations