Geometry & MOs

Info

ID:	433046
PubChem CID:	135173183
Reduced:	OF3N3C14H14 (1)
Stoich.:	AB3C3D14E14 (1)
Weight, g/mol:	429.278013
ΔH_f, kcal/mol:	-102.03
Dipole, Da:	5.04
IP(EA), eV:	-8.96(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-methyl-6-(4-phenoxypiperidin-1-yl)-3-(2-tetracyclo[4.4.0.02,5.07,10]decanyl)pyridin-2-yl]methanamine

Drug info:

PubChemData

Smile

CN1CCCC1C2=CC=C(C=C2)C3=NOC(=N3)C(F)(F)F

DOS

IR

Vibrations