Geometry & MOs

Info

ID:	395448
PubChem CID:	135025505
Reduced:	NO2F3H14C20 (1)
Stoich.:	AB2C3D14E20 (1)
Weight, g/mol:	596.319149
ΔH_f, kcal/mol:	-166.85
Dipole, Da:	6.24
IP(EA), eV:	-8.97(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N,N',N'-tetrabenzyl-1,4-diphenylbut-2-yne-1,4-diamine

Drug info:

PubChemData

Smile

CCN1C2=C(C3=CC=CC=C3C=C2)OC4=C(C1=O)C=C(C=C4)C(F)(F)F

DOS

IR

Vibrations