Geometry & MOs

Info

ID:	338705
PubChem CID:	127259716
Reduced:	NSF3H16C20 (1)
Stoich.:	ABC3D16E20 (1)
Weight, g/mol:	391.157229
ΔH_f, kcal/mol:	-94.41
Dipole, Da:	4.81
IP(EA), eV:	-8.6(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-N,N-diphenylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=C(C=C2)C(F)(F)F)CSC3=CC=C(C=C3)N

DOS

IR

Vibrations