Geometry & MOs

Info

ID:	442288
PubChem CID:	135251024
Reduced:	N4C9H11 (2)
Stoich.:	A4B9C11 (2)
Weight, g/mol:	338.188195
ΔH_f, kcal/mol:	116.7
Dipole, Da:	6.76
IP(EA), eV:	-8.51(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[7-(2-methylpropyl)-2,3-dihydro-1-benzofuran-3-yl]-5-propan-2-yl-1,3-benzodioxole

Drug info:

PubChemData

Smile

C1CN(CC2C1CN(C2)/C(=C/C=C(/C#N)\N)/N)C3=NC=NC4=C3C=CN4

DOS

IR

Vibrations