Geometry & MOs

Info

ID:	342392
PubChem CID:	127265215
Reduced:	OSN4H16C18 (1)
Stoich.:	ABC4D16E18 (1)
Weight, g/mol:	338.101505
ΔH_f, kcal/mol:	61.44
Dipole, Da:	5.64
IP(EA), eV:	-8.68(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dimethyl-5-[2-(6-nitroquinolin-2-yl)ethenyl]pyrimidine-2,4-dione

Drug info:

PubChemData

Smile

CCN1C2=CC=CC=C2C(=N1)C=C(C)C3=NC4=C(C=CS4)C(=O)N3

DOS

IR

Vibrations