Geometry & MOs

Info

ID:	78893
PubChem CID:	49742657
Reduced:	O3N4H16C20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	310.10659
ΔH_f, kcal/mol:	-25.72
Dipole, Da:	5.51
IP(EA), eV:	-8.96(-1.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(methoxymethyl)-2-oxo-1H-quinolin-7-yl]pyrazine-2-carboxamide

Drug info:

PubChemData

Smile

COCC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4N=C3

DOS

IR

Vibrations