Geometry & MOs

Info

ID:	216482
PubChem CID:	85086299
Reduced:	O4C15H28 (1)
Stoich.:	A4B15C28 (1)
Weight, g/mol:	272.17763
ΔH_f, kcal/mol:	-223.28
Dipole, Da:	5.02
IP(EA), eV:	-9.88(2.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethyloct-2-en-7-ynoxymethyl)-4-methoxybenzene

Drug info:

PubChemData

Smile

CC1CC2(C(CCCC2OCOC)CC1O)CCO

DOS

IR

Vibrations