Geometry & MOs

Info

ID:	426099
PubChem CID:	135137352
Reduced:	FNC11H12 (1)
Stoich.:	ABC11D12 (1)
Weight, g/mol:	310.204513
ΔH_f, kcal/mol:	-17.69
Dipole, Da:	5.5
IP(EA), eV:	-9.81(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1,4-dibenzyl-6-methylpiperazin-2-yl)methanol

Drug info:

PubChemData

Smile

CCC1=C(C(=C(C=C1)F)C#N)CC

DOS

IR

Vibrations