Geometry & MOs

Info

ID:	125432
PubChem CID:	50923993
Reduced:	OSN6C20H20 (1)
Stoich.:	ABC6D20E20 (1)
Weight, g/mol:	228.095043
ΔH_f, kcal/mol:	67.41
Dipole, Da:	1.55
IP(EA), eV:	-8.48(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-1-(3-fluorophenyl)-3-phenylprop-2-en-1-ol

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNCCNC(=O)C2=C(C=CS2)NC3=NC=NC4=C3C=CN4

DOS

IR

Vibrations