Geometry & MOs

Info

ID:	393801
PubChem CID:	135021716
Reduced:	N6C17H22 (1)
Stoich.:	A6B17C22 (1)
Weight, g/mol:	370.271924
ΔH_f, kcal/mol:	107.81
Dipole, Da:	5.4
IP(EA), eV:	-9.02(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (E)-3-[(4S,5S)-5-[(10R)-10-hydroxyundecyl]-2,2-dimethyl-1,3-dioxolan-4-yl]prop-2-enoate

Drug info:

PubChemData

Smile

CCCN1C(=C2C=CC=CC2=N1)C3=NN=NN3C4CCCCC4

DOS

IR

Vibrations