Geometry & MOs

Info

ID:	208221
PubChem CID:	80504538
Reduced:	O2N4C15H22 (1)
Stoich.:	A2B4C15D22 (1)
Weight, g/mol:	241.179027
ΔH_f, kcal/mol:	-38.7
Dipole, Da:	2.36
IP(EA), eV:	-8.89(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(aminomethyl)-4-methylpiperazin-1-yl]-2-(oxolan-2-yl)ethanone

Drug info:

PubChemData

Smile

CCC1=C(N=NC(=C1C#N)N(C)CCC(=O)OCC)CC

DOS

IR

Vibrations