Geometry & MOs

Info

ID:	256785
PubChem CID:	103141374
Reduced:	ClN3H16C17 (1)
Stoich.:	AB3C16D17 (1)
Weight, g/mol:	296.282764
ΔH_f, kcal/mol:	75.75
Dipole, Da:	1.22
IP(EA), eV:	-8.92(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(5-methyloxolan-2-yl)methyl]-2,5-bis(2-methylpropyl)piperazine

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)Cl)C(C2=CC=CC3=C2C=NC=C3)NN

DOS

IR

Vibrations