Geometry & MOs

Info

ID:	411475
PubChem CID:	135084306
Reduced:	NOC13H17 (1)
Stoich.:	ABC13D17 (1)
Weight, g/mol:	222.198365
ΔH_f, kcal/mol:	-30.46
Dipole, Da:	3.73
IP(EA), eV:	-8.76(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2Z,5E)-octa-2,5-dienyl]-3-pentyloxirane

Drug info:

PubChemData

Smile

CCC(=C)CC1=CC=CC=C1NC(=O)C

DOS

IR

Vibrations