Geometry & MOs

Info

ID:	78871
PubChem CID:	49742608
Reduced:	ClN2O3C23H23 (1)
Stoich.:	AB2C3D23E23 (1)
Weight, g/mol:	376.00587
ΔH_f, kcal/mol:	-95.07
Dipole, Da:	4.07
IP(EA), eV:	-8.84(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COCC1=CC(=O)NC2=C1C=CC(=C2)NC(=O)C3(CCCC3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations