Geometry & MOs

Info

ID:	45794
PubChem CID:	10517675
Reduced:	NO3H13C18 (1)
Stoich.:	AB3C13D18 (1)
Weight, g/mol:	291.089543
ΔH_f, kcal/mol:	-23.8
Dipole, Da:	4.74
IP(EA), eV:	-9.11(-1.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-(1-benzofuran-2-yl)-1H-indole-2-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CC2=CC(=O)C3=C(O2)C=C(C=C3)C#N

DOS

IR

Vibrations