Geometry & MOs

Info

ID:	296424
PubChem CID:	117573734
Reduced:	N3C11H21 (1)
Stoich.:	A3B11C21 (1)
Weight, g/mol:	195.137162
ΔH_f, kcal/mol:	8.34
Dipole, Da:	3.88
IP(EA), eV:	-8.41(1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CN1CCN(CC1)CC)C#N

DOS

IR

Vibrations