Geometry & MOs

Info

ID:	33929
PubChem CID:	7888845
Reduced:	N2O5H18C19 (1)
Stoich.:	A2B5C18D19 (1)
Weight, g/mol:	347.126991
ΔH_f, kcal/mol:	-140.3
Dipole, Da:	5.36
IP(EA), eV:	-8.72(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 1H-indole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=CNC3=CC=CC=C32

DOS

IR

Vibrations