Geometry & MOs

Info

ID:	338867
PubChem CID:	127259878
Reduced:	NC29H33 (1)
Stoich.:	AB29C33 (1)
Weight, g/mol:	367.124215
ΔH_f, kcal/mol:	81.05
Dipole, Da:	1.69
IP(EA), eV:	-8.95(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-benzyl-3-(benzylamino)-4-methylbenzenesulfonic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC/C=C/CN(CC2=CC=CC=C2)C/C=C/CCC3=CC=CC=C3

DOS

IR

Vibrations