Geometry & MOs

Info

ID:	394620
PubChem CID:	135023299
Reduced:	FO2N7H26C28 (1)
Stoich.:	AB2C7D26E28 (1)
Weight, g/mol:	216.11503
ΔH_f, kcal/mol:	24.27
Dipole, Da:	1.35
IP(EA), eV:	-8.2(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(oxolan-2-yl)-4-phenylbut-3-en-2-one

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)NC2=NC(=NC(=N2)NC3=CC4=C(C=CC=N4)C=C3)NCCC5=CC=CC=C5F)OC

DOS

IR

Vibrations