Geometry & MOs

Info

ID:	259176
PubChem CID:	103158493
Reduced:	NO2C7H10 (2)
Stoich.:	AB2C7D10 (2)
Weight, g/mol:	222.173213
ΔH_f, kcal/mol:	-172.72
Dipole, Da:	3.86
IP(EA), eV:	-8.92(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-cyclopentyl-2-hydroxypropyl)pyrrolidine-2-carbonitrile

Drug info:

PubChemData

Smile

CCC1=CC(=CC=C1)NC(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations