Geometry & MOs

Info

ID:	216705
PubChem CID:	85086643
Reduced:	O5C16H22 (1)
Stoich.:	A5B16C22 (1)
Weight, g/mol:	294.125594
ΔH_f, kcal/mol:	-214.23
Dipole, Da:	5.66
IP(EA), eV:	-9.41(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methoxy-4-[5-(4-methoxyphenoxy)pent-3-en-1-ynyl]benzene

Drug info:

PubChemData

Smile

CC1CCC2C3(C1C(=O)C(=C(C3(CC(=O)O2)O)C)OC)C

DOS

IR

Vibrations