Geometry & MOs

Info

ID:	59010
PubChem CID:	24770270
Reduced:	SN3O4C18H27 (1)
Stoich.:	AB3C4D18E27 (1)
Weight, g/mol:	276.20893
ΔH_f, kcal/mol:	-128.51
Dipole, Da:	10.05
IP(EA), eV:	-9.19(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butoxy-3-(3-methylbutoxy)-2-prop-2-enylbenzene

Drug info:

PubChemData

Smile

CCCOC1=NC=C(S1)CN/C(=C(/C#N)\C(=O)OCCOCC)/C(C)C

DOS

IR

Vibrations