Geometry & MOs

Info

ID:	404829
PubChem CID:	135071377
Reduced:	ClNOH14C15 (1)
Stoich.:	ABCD14E15 (1)
Weight, g/mol:	359.168543
ΔH_f, kcal/mol:	14.0
Dipole, Da:	3.3
IP(EA), eV:	-8.45(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-[2-(dibenzylamino)-5-fluorophenyl]but-3-en-2-one

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)N=CC2=CC=C(C=C2)Cl)OC

DOS

IR

Vibrations