Geometry & MOs

Info

ID:	296422
PubChem CID:	117573732
Reduced:	N3C10H21 (1)
Stoich.:	A3B10C21 (1)
Weight, g/mol:	181.157898
ΔH_f, kcal/mol:	9.87
Dipole, Da:	3.83
IP(EA), eV:	-8.76(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CNCCCN(C)C)C#N

DOS

IR

Vibrations