Geometry & MOs

Info

ID:	397473
PubChem CID:	135030258
Reduced:	O2N3H17C20 (1)
Stoich.:	A2B3C17D20 (1)
Weight, g/mol:	278.260966
ΔH_f, kcal/mol:	109.79
Dipole, Da:	8.04
IP(EA), eV:	-8.87(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-[(3E,7E)-3,7-dimethyltrideca-3,7-dienyl]-2,2-dimethyloxirane

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC2=CNC(=C2[N+](=O)[O-])NCC#CC3=CC=CC=C3

DOS

IR

Vibrations