Geometry & MOs

Info

ID:	296425
PubChem CID:	117573735
Reduced:	ON3C10H17 (1)
Stoich.:	AB3C10D17 (1)
Weight, g/mol:	209.152812
ΔH_f, kcal/mol:	-22.37
Dipole, Da:	2.99
IP(EA), eV:	-9.06(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(4-acetylpiperazin-1-yl)methyl]butanenitrile

Drug info:

PubChemData

Smile

CCC(CN1CCN(CC1)C=O)C#N

DOS

IR

Vibrations