Geometry & MOs

Info

ID:	185956
PubChem CID:	77373436
Reduced:	ON2C9H10 (2)
Stoich.:	AB2C9D10 (2)
Weight, g/mol:	363.210624
ΔH_f, kcal/mol:	5.98
Dipole, Da:	3.9
IP(EA), eV:	-8.88(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

1-[4-[2-cyclopentylethyl(ethyl)amino]but-1-enyl]-4-[(sulfinatoamino)methyl]benzene

Drug info:

PubChemData

Smile

C1C(C(=C2C=CC(=CC2=O)C3=CC=CC=C3)NN1)CCC(=O)NN

DOS

IR

Vibrations