Geometry & MOs

Info

ID:	190143
PubChem CID:	77959932
Reduced:	ON2C10H11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	248.200097
ΔH_f, kcal/mol:	-21.46
Dipole, Da:	3.1
IP(EA), eV:	-9.39(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-5-ylamino)ethyl]pyrrolidine-2-carbonitrile

Drug info:

PubChemData

Smile

CCC1=CN=C(N=C1C2=CNC(=C2)C(=O)NC(CO)C3=CC=CC=C3)C

DOS

IR

Vibrations