Geometry & MOs

Info

ID:	220708
PubChem CID:	85230622
Reduced:	NC3H4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	212.141244
ΔH_f, kcal/mol:	62.87
Dipole, Da:	1.3
IP(EA), eV:	-8.52(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxyocta-4,6-dienyl)-1,3-dioxolane

Drug info:

PubChemData

Smile

CC1C(C(NN1)NC2=CC=C(C=C2)C)C#N

DOS

IR

Vibrations