Geometry & MOs

Info

ID:	398205
PubChem CID:	135032309
Reduced:	N2O3C16H16 (1)
Stoich.:	A2B3C16D16 (1)
Weight, g/mol:	306.100442
ΔH_f, kcal/mol:	-63.66
Dipole, Da:	6.03
IP(EA), eV:	-8.83(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-(benzylamino)-3-cyano-1-benzofuran-5-carboxylate

Drug info:

PubChemData

Smile

COC(=O)C1=CC2=C(C=C1)OC(=C2C#N)NC3CCCC3

DOS

IR

Vibrations