Geometry & MOs

Info

ID:	296423
PubChem CID:	117573733
Reduced:	N3C10H19 (1)
Stoich.:	A3B10C19 (1)
Weight, g/mol:	195.173548
ΔH_f, kcal/mol:	13.55
Dipole, Da:	3.79
IP(EA), eV:	-8.48(1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CN1CCN(CC1)C)C#N

DOS

IR

Vibrations