Geometry & MOs

Info

ID:	199281
PubChem CID:	79226286
Reduced:	SN3C15H19 (1)
Stoich.:	AB3C15D19 (1)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	51.61
Dipole, Da:	2.66
IP(EA), eV:	-8.62(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2,3-dihydro-1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CCC(C1=CN(N=C1)CC2CSC3=CC=CC=C23)N

DOS

IR

Vibrations