Geometry & MOs

Info

ID:	256751
PubChem CID:	103141125
Reduced:	SN4C13H16 (1)
Stoich.:	AB4C13D16 (1)
Weight, g/mol:	212.188863
ΔH_f, kcal/mol:	84.23
Dipole, Da:	6.57
IP(EA), eV:	-8.13(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-1-[(5-methyloxolan-2-yl)methyl]piperazine

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2CSC3=CC=CC=C23)NN

DOS

IR

Vibrations