Geometry & MOs

Info

ID:	199284
PubChem CID:	79226419
Reduced:	N2O2C11H14 (1)
Stoich.:	A2B2C11D14 (1)
Weight, g/mol:	242.141913
ΔH_f, kcal/mol:	-56.78
Dipole, Da:	1.85
IP(EA), eV:	-8.89(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[cyclopropyl(2,3-dihydro-1-benzofuran-3-ylmethyl)amino]propanenitrile

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2O1)CNCC(=O)N

DOS

IR

Vibrations