Geometry & MOs

Info

ID:	259174
PubChem CID:	103158485
Reduced:	N3O4C13H25 (1)
Stoich.:	A3B4C13D25 (1)
Weight, g/mol:	265.215413
ΔH_f, kcal/mol:	-198.37
Dipole, Da:	4.14
IP(EA), eV:	-8.78(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-cyclopentyl-2-hydroxypropyl)piperazin-1-yl]propanenitrile

Drug info:

PubChemData

Smile

CCN1CCCC1CNC(=O)NCC(CC(=O)O)OC

DOS

IR

Vibrations