Geometry & MOs

Info

ID:	78882
PubChem CID:	49742637
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	347.126991
ΔH_f, kcal/mol:	-124.94
Dipole, Da:	8.73
IP(EA), eV:	-8.71(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(O1)C)C(=O)NC2=CC3=C(C=C2)C(=CC(=O)N3)COC

DOS

IR

Vibrations