Geometry & MOs

Info

ID:	336063
PubChem CID:	127255070
Reduced:	N3O3C26H31 (1)
Stoich.:	A3B3C26D31 (1)
Weight, g/mol:	345.147727
ΔH_f, kcal/mol:	-59.52
Dipole, Da:	4.13
IP(EA), eV:	-8.22(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(1-methylindol-3-yl)ethyl]-2-oxo-1H-quinoline-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)C(C1=CC(=C(C=C1)OC)OC)NC(=O)N2CCC(=CC2)C3=CNC4=CC=CC=C43

DOS

IR

Vibrations