Geometry & MOs

Info

ID:	404830
PubChem CID:	135071378
Reduced:	FNOH22C24 (1)
Stoich.:	ABCD22E24 (1)
Weight, g/mol:	375.138992
ΔH_f, kcal/mol:	0.34
Dipole, Da:	4.63
IP(EA), eV:	-9.02(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)/C=C/C1=C(C=CC(=C1)F)N(CC2=CC=CC=C2)CC3=CC=CC=C3

DOS

IR

Vibrations