Geometry & MOs

Info

ID:	392389
PubChem CID:	135015229
Reduced:	NOC11H11 (2)
Stoich.:	ABC11D11 (2)
Weight, g/mol:	228.11503
ΔH_f, kcal/mol:	-17.39
Dipole, Da:	3.82
IP(EA), eV:	-8.0(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[(3R,4Z)-4-benzylideneoxolan-3-yl]but-2-enal

Drug info:

PubChemData

Smile

CC1=C2C3C(CN2C4=CC=CC=C14)(C(CN3)C5=CC=CC=C5)C(=O)OC

DOS

IR

Vibrations