Geometry & MOs

Info

ID:	398206
PubChem CID:	135032311
Reduced:	N2O3H14C18 (1)
Stoich.:	A2B3C14D18 (1)
Weight, g/mol:	320.116092
ΔH_f, kcal/mol:	-22.87
Dipole, Da:	7.16
IP(EA), eV:	-8.91(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-cyano-2-[(4-methylphenyl)methylamino]-1-benzofuran-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)OC(=C2C#N)NCC3=CC=CC=C3

DOS

IR

Vibrations