Geometry & MOs

Info

ID:	256529
PubChem CID:	103139737
Reduced:	ClN3H14C16 (1)
Stoich.:	AB3C14D16 (1)
Weight, g/mol:	246.149891
ΔH_f, kcal/mol:	85.38
Dipole, Da:	1.76
IP(EA), eV:	-9.34(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-chloroethyl)-4-[(5-methyloxolan-2-yl)methyl]piperazine

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=CC=C(C=C3)Cl)NN

DOS

IR

Vibrations