Geometry & MOs

Info

ID:	384835
PubChem CID:	134977775
Reduced:	C21H22 (2)
Stoich.:	A21B22 (2)
Weight, g/mol:	221.141579
ΔH_f, kcal/mol:	105.1
Dipole, Da:	0.15
IP(EA), eV:	-7.73(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-(oxan-2-yloxy)oct-5-ynenitrile

Drug info:

PubChemData

Smile

CCCC1(C2=CC=CC=C2C(=C=C=C3C4=CC=CC=C4C(C5=CC=CC=C53)(CCC)CCC)C6=CC=CC=C61)CCC

DOS

IR

Vibrations