Geometry & MOs

Info

ID:	320689
PubChem CID:	126662540
Reduced:	NO2C23H35 (1)
Stoich.:	AB2C23D35 (1)
Weight, g/mol:	244.14633
ΔH_f, kcal/mol:	-58.05
Dipole, Da:	4.35
IP(EA), eV:	-8.37(0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-butyl-7-(prop-2-ynoxymethyl)-2,3-dihydro-1-benzofuran

Drug info:

PubChemData

Smile

CCCN(C)CCCCOC1=CC=C(CC=C1)C2=CCCC(CC2)C=O

DOS

IR

Vibrations