Geometry & MOs

Info

ID:	256774
PubChem CID:	103141313
Reduced:	N3C6H7 (2)
Stoich.:	A3B6C7 (2)
Weight, g/mol:	254.235814
ΔH_f, kcal/mol:	127.14
Dipole, Da:	6.42
IP(EA), eV:	-8.6(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethyl-1-[(5-methyloxolan-2-yl)methyl]-2-propan-2-ylpiperazine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=C3C=CC=CN3N=C2)NN

DOS

IR

Vibrations