Geometry & MOs

Info

ID:	434281
PubChem CID:	135174579
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	239.236148
ΔH_f, kcal/mol:	-21.33
Dipole, Da:	6.72
IP(EA), eV:	-8.59(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-tert-butylazetidin-3-yl)-4-propan-2-ylpiperazine

Drug info:

PubChemData

Smile

CCC(=O)C1=CN=C(C=C1)N2CCN(CC2)CCC3=NOC(=C3)C(C)(C)C

DOS

IR

Vibrations