Geometry & MOs

Info

ID:	399330
PubChem CID:	135039680
Reduced:	N2F6C11H12 (1)
Stoich.:	A2B6C11D12 (1)
Weight, g/mol:	242.13068
ΔH_f, kcal/mol:	-290.93
Dipole, Da:	7.38
IP(EA), eV:	-8.67(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-5-[(3R,4Z)-4-benzylideneoxolan-3-yl]pent-3-en-2-one

Drug info:

PubChemData

Smile

CN(C)C1=CC=C(C=C1)C(C(F)(F)F)(C(F)(F)F)N

DOS

IR

Vibrations