Geometry & MOs

Info

ID:	163346
PubChem CID:	57820330
Reduced:	OF2N7C28H31 (1)
Stoich.:	AB2C7D28E31 (1)
Weight, g/mol:	267.173548
ΔH_f, kcal/mol:	-15.53
Dipole, Da:	0.67
IP(EA), eV:	-8.18(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-4-[3-(5-methylpyridin-3-yl)phenyl]piperazine

Drug info:

PubChemData

Smile

CN1CCN(CC1)C2=CC=CC(=C2)NC3=NC=C4C=CN(C4=N3)C5=CC(=C(C(=C5)F)CN6CCOCC6)F

DOS

IR

Vibrations