Geometry & MOs

Info

ID:	157744
PubChem CID:	56436900
Reduced:	F3O3N5C20H26 (1)
Stoich.:	A3B3C5D20E26 (1)
Weight, g/mol:	443.158739
ΔH_f, kcal/mol:	-220.28
Dipole, Da:	3.49
IP(EA), eV:	-8.98(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chloro-4-ethoxy-5-methoxyphenyl)methyl]-1-[5-(trifluoromethyl)pyridin-2-yl]piperidin-4-amine

Drug info:

PubChemData

Smile

CC(C)C1=NOC(=N1)CCCNC(=O)NC2=C(C=C(C=C2)N3CCOCC3)C(F)(F)F

DOS

IR

Vibrations