Geometry & MOs

Info

ID:	411620
PubChem CID:	135084452
Reduced:	O2C5H7 (2)
Stoich.:	A2B5C7 (2)
Weight, g/mol:	170.073165
ΔH_f, kcal/mol:	-151.51
Dipole, Da:	5.02
IP(EA), eV:	-10.63(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-2-penta-1,3-diynylbenzene

Drug info:

PubChemData

Smile

CCC(CC#CC)(C(=O)O)C(=O)OC

DOS

IR

Vibrations