Geometry & MOs

Info

ID:	199223
PubChem CID:	79219155
Reduced:	ON3C17H31 (1)
Stoich.:	AB3C17D31 (1)
Weight, g/mol:	252.128093
ΔH_f, kcal/mol:	-55.86
Dipole, Da:	1.83
IP(EA), eV:	-9.05(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[2-(chloromethyl)-2-methylpentyl]-2,3-dihydro-1-benzofuran

Drug info:

PubChemData

Smile

CCCNCCC1=C(N=C(N=C1CC)CCCOC)CC

DOS

IR

Vibrations