Geometry & MOs

Info

ID:	382087
PubChem CID:	134973014
Reduced:	PO4C13H19 (1)
Stoich.:	AB4C13D19 (1)
Weight, g/mol:	260.141245
ΔH_f, kcal/mol:	-182.58
Dipole, Da:	3.22
IP(EA), eV:	-9.98(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(4-methoxyphenyl)methoxy]oct-4-ynal

Drug info:

PubChemData

Smile

COP(=O)(CC(=O)C12CCC1C3CC2C=C3)OC

DOS

IR

Vibrations