Geometry & MOs

Info

ID:	78890
PubChem CID:	49742651
Reduced:	SN3O3H15C19 (1)
Stoich.:	AB3C3D15E19 (1)
Weight, g/mol:	342.132805
ΔH_f, kcal/mol:	-39.4
Dipole, Da:	6.83
IP(EA), eV:	-8.96(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations