Geometry & MOs

Info

ID:	166338
PubChem CID:	74672767
Reduced:	N3O5C21H26 (1)
Stoich.:	A3B5C21D26 (1)
Weight, g/mol:	385.062292
ΔH_f, kcal/mol:	-189.65
Dipole, Da:	7.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754529
Charge, e:	-1

Chem-info

IUPAC name:

5,7-dichloro-2-[2-(2-pyrrolidin-1-ylpyrimidin-5-yl)ethenyl]quinolin-8-olate

Drug info:

PubChemData

Smile

CC(C)C[N+]1=C(C(C(=O)N(C1=O)C)C(=O)COC(=O)C2=CC3=C(CCC3)C=C2)N

DOS

IR

Vibrations