Geometry & MOs

Info

ID:	327857
PubChem CID:	126691173
Reduced:	F2N7H17C20 (1)
Stoich.:	A2B7C17D20 (1)
Weight, g/mol:	458.163969
ΔH_f, kcal/mol:	45.86
Dipole, Da:	2.32
IP(EA), eV:	-9.72(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzhydryl-N-[4-(trifluoromethoxy)phenyl]sulfanylpiperidin-3-amine

Drug info:

PubChemData

Smile

CC1=CN(N=N1)CC2=NC3=CN=C4C=CC(=CC4=C3N2C5CCCC5(F)F)C#N

DOS

IR

Vibrations