Geometry & MOs

Info

ID:	193005
PubChem CID:	78336991
Reduced:	N5O5H13C17 (1)
Stoich.:	A5B5C13D17 (1)
Weight, g/mol:	355.116821
ΔH_f, kcal/mol:	9.76
Dipole, Da:	4.29
IP(EA), eV:	-8.86(-2.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-(8-methoxy-2-oxo-1H-quinolin-3-yl)-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C=NNC2=NC(=O)C(=C)N=N2)OC(=O)C3=CC=CO3

DOS

IR

Vibrations