Geometry & MOs

Info

ID:	296014
PubChem CID:	117550677
Reduced:	ON3C14H21 (1)
Stoich.:	AB3C14D21 (1)
Weight, g/mol:	247.168462
ΔH_f, kcal/mol:	6.99
Dipole, Da:	3.45
IP(EA), eV:	-8.77(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(3-pyridin-4-yloxetan-3-yl)ethyl]piperazine

Drug info:

PubChemData

Smile

CC(C1(COC1)C2=CC=CC=N2)N3CCNCC3

DOS

IR

Vibrations