Geometry & MOs

Info

ID:	157795
PubChem CID:	56437280
Reduced:	NSO2F3H12C18 (1)
Stoich.:	ABC2D3E12F18 (1)
Weight, g/mol:	425.192626
ΔH_f, kcal/mol:	-155.33
Dipole, Da:	2.12
IP(EA), eV:	-9.02(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(trifluoromethyl)pyridin-2-yl]-N-[(3,4,5-trimethoxyphenyl)methyl]piperidin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C(=C\C(=O)OCC2=NC3=CC=CC=C3S2)/C(F)(F)F

DOS

IR

Vibrations