Geometry & MOs

Info

ID:	188457
PubChem CID:	77720319
Reduced:	F3O5C20H21 (1)
Stoich.:	A3B5C20D21 (1)
Weight, g/mol:	236.225249
ΔH_f, kcal/mol:	-335.29
Dipole, Da:	5.41
IP(EA), eV:	-9.12(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-1-(2,6,6-trimethyl-3-bicyclo[3.1.1]heptanyl)piperazine

Drug info:

PubChemData

Smile

COC(CC1=CC=CC=C1OCCCOC2=CC=CC(=C2)C(F)(F)F)C(=O)O

DOS

IR

Vibrations