Geometry & MOs

Info

ID:	398203
PubChem CID:	135032306
Reduced:	N2O3C16H18 (1)
Stoich.:	A2B3C16D18 (1)
Weight, g/mol:	300.147393
ΔH_f, kcal/mol:	-69.74
Dipole, Da:	7.77
IP(EA), eV:	-8.77(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCCNC1=C(C2=C(O1)C=CC(=C2)C(=O)OC)C#N

DOS

IR

Vibrations