Geometry & MOs

Info

ID:	264201
PubChem CID:	103440296
Reduced:	FCl2O2H9C10 (1)
Stoich.:	AB2C2D9E10 (1)
Weight, g/mol:	302.160598
ΔH_f, kcal/mol:	-142.65
Dipole, Da:	4.87
IP(EA), eV:	-9.96(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-methyl-1-[[2-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]methanamine

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1Cl)F)C(CCC(=O)O)Cl

DOS

IR

Vibrations