Geometry & MOs

Info

ID:	61615
PubChem CID:	26710965
Reduced:	F2N2O4H20C21 (1)
Stoich.:	A2B2C4D20E21 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-162.24
Dipole, Da:	5.62
IP(EA), eV:	-9.18(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[2-(1H-indol-3-yl)ethylamino]-2-oxoethyl]-2-methoxybenzamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)CN(C2CC2)C(=O)COC3=CC=C(C=C3)C#N)OC(F)F

DOS

IR

Vibrations