Geometry & MOs

Info

ID:	426429
PubChem CID:	135144062
Reduced:	ON4H32C51 (1)
Stoich.:	AB4C32D51 (1)
Weight, g/mol:	208.10342
ΔH_f, kcal/mol:	233.28
Dipole, Da:	0.83
IP(EA), eV:	-8.71(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(cyclopentylamino)sulfanylaniline

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=CC(=C2)C3=CC4=C(C=C3)C5=CC=CC=C5N4C6=NC(=NC(=N6)C7=CC8=C(C=C7)OC9=CC=CC=C98)C1=CC=CC=C1)C1=CC=CC=C1

DOS

IR

Vibrations