Geometry & MOs

Info

ID:	380765
PubChem CID:	134971312
Reduced:	NSO5C25H29 (1)
Stoich.:	ABC5D25E29 (1)
Weight, g/mol:	308.235145
ΔH_f, kcal/mol:	-150.14
Dipole, Da:	7.88
IP(EA), eV:	-9.63(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2E,6E)-9-(3,3-dimethyloxiran-2-yl)-3,7-dimethylnona-2,6-dienyl]-2-methyl-1,3-dioxolane

Drug info:

PubChemData

Smile

CCC(C)(C#CC1=CC=C(C=C1)S(=O)(=O)C)N(CC2=CC=CC=C2)C(=O)CC(=O)OCC

DOS

IR

Vibrations