Geometry & MOs

Info

ID:	288589
PubChem CID:	104320824
Reduced:	NO3C11H19 (1)
Stoich.:	AB3C11D19 (1)
Weight, g/mol:	272.152478
ΔH_f, kcal/mol:	-150.56
Dipole, Da:	3.04
IP(EA), eV:	-9.21(0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C(=O)OC)N1CC2CCC(C2C1)O

DOS

IR

Vibrations