Geometry & MOs

Info

ID:	256806
PubChem CID:	103141522
Reduced:	ClFN3H13C16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	280.251464
ΔH_f, kcal/mol:	41.31
Dipole, Da:	2.68
IP(EA), eV:	-8.86(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-cyclopropyl-5-methyl-1-[(5-methyloxolan-2-yl)methyl]-2-propylpiperazine

Drug info:

PubChemData

Smile

C1=CC2=C(C=NC=C2)C(=C1)C(C3=C(C=CC=C3Cl)F)NN

DOS

IR

Vibrations