Geometry & MOs

Info

ID:	44053
PubChem CID:	10500621
Reduced:	O2C7H14 (3)
Stoich.:	A2B7C14 (3)
Weight, g/mol:	390.27701
ΔH_f, kcal/mol:	-150.93
Dipole, Da:	0.21
IP(EA), eV:	-9.07(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butyl-2-hex-1-ynyl-3,5-bis[2-(methoxymethoxy)ethyl]benzene

Drug info:

PubChemData

Smile

CCCC1(OOC(OOC(OO1)(CCC)CCC)(CCC)CCC)CCC

DOS

IR

Vibrations