Geometry & MOs

Info

ID:	166889
PubChem CID:	74750936
Reduced:	ON3C18H20 (1)
Stoich.:	AB3C18D20 (1)
Weight, g/mol:	340.148359
ΔH_f, kcal/mol:	46.8
Dipole, Da:	9.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760689
Charge, e:	1

Chem-info

IUPAC name:

[2-[(3-cyano-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)amino]-2-oxoethyl]-methyl-(1-phenylethyl)azanium

Drug info:

PubChemData

Smile

CC(C1=CC=CC=C1)[NH+](C)CC(=O)NC2=CC=C(C=C2)C#N

DOS

IR

Vibrations