Geometry & MOs

Info

ID:	444517
PubChem CID:	135262715
Reduced:	OC17H24 (1)
Stoich.:	AB17C24 (1)
Weight, g/mol:	187.063329
ΔH_f, kcal/mol:	-31.14
Dipole, Da:	2.32
IP(EA), eV:	-9.36(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-acetyl-2,3-dihydro-1-benzofuran-7-carbonitrile

Drug info:

PubChemData

Smile

CCCCCCC(=CC1=CC=CC=C1)/C=C/CO

DOS

IR

Vibrations