Geometry & MOs

Info

ID:	132377
PubChem CID:	51351255
Reduced:	ON5C30H35 (1)
Stoich.:	AB5C30D35 (1)
Weight, g/mol:	366.135526
ΔH_f, kcal/mol:	53.79
Dipole, Da:	4.79
IP(EA), eV:	-9.09(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[(4-fluorophenyl)methoxy]-4-[4-(trifluoromethyl)phenyl]piperidin-3-imine

Drug info:

PubChemData

Smile

C1CCC(CC1)C(=O)N2CCC(N(CC2)CC3=CN=CN3CC4=CC=C(C=C4)C#N)C5=CC=CC=C5

DOS

IR

Vibrations