Geometry & MOs

Info

ID:	157029
PubChem CID:	56413036
Reduced:	F3N3O3C23H24 (1)
Stoich.:	A3B3C3D23E24 (1)
Weight, g/mol:	447.213362
ΔH_f, kcal/mol:	-221.1
Dipole, Da:	1.98
IP(EA), eV:	-8.66(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-morpholin-4-ylphenyl)-2-[2-[4-(trifluoromethyl)phenyl]piperidin-1-yl]acetamide

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=O)N=C(N2)CN3CCCCC3C4=CC=C(C=C4)C(F)(F)F)OC

DOS

IR

Vibrations