Geometry & MOs

Info

ID:	288496
PubChem CID:	104317756
Reduced:	ON3C10H19 (1)
Stoich.:	AB3C10D19 (1)
Weight, g/mol:	225.184112
ΔH_f, kcal/mol:	-30.5
Dipole, Da:	3.05
IP(EA), eV:	-8.9(1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-(3-hydroxybutyl)piperazin-1-yl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC(CCN1CCN(CC1)CC#N)O

DOS

IR

Vibrations