Geometry & MOs

Info

ID:	288495
PubChem CID:	104317744
Reduced:	ON2C10H18 (1)
Stoich.:	AB2C10D18 (1)
Weight, g/mol:	197.152812
ΔH_f, kcal/mol:	-19.95
Dipole, Da:	5.77
IP(EA), eV:	-9.4(1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(CCN(CCC#N)C1CC1)O

DOS

IR

Vibrations