Geometry & MOs

Info

ID:	161159
PubChem CID:	57390923
Reduced:	Cl2O3N5C23H25 (1)
Stoich.:	A2B3C5D23E25 (1)
Weight, g/mol:	335.046154
ΔH_f, kcal/mol:	-92.79
Dipole, Da:	5.04
IP(EA), eV:	-9.28(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-chlorophenyl)pyrimido[4,5-c]quinoline-8-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=C2CN(C(=O)C2=N1)CC(=O)N3CCN(CC3)C(=O)C)C4=C(C=C(C=C4)Cl)Cl)CN

DOS

IR

Vibrations