Geometry & MOs

Info

ID:	288664
PubChem CID:	104323174
Reduced:	NO2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	305.119798
ΔH_f, kcal/mol:	-66.64
Dipole, Da:	2.83
IP(EA), eV:	-9.01(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyanothiophen-2-yl)-3-(4-hydroxy-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)propanamide

Drug info:

PubChemData

Smile

C1CC(C2C1CN(C2)CC3=CC=CO3)O

DOS

IR

Vibrations