Geometry & MOs

Info

ID:	157067
PubChem CID:	56413297
Reduced:	O2F3N5C23H26 (1)
Stoich.:	A2B3C5D23E26 (1)
Weight, g/mol:	379.187147
ΔH_f, kcal/mol:	-161.74
Dipole, Da:	7.57
IP(EA), eV:	-9.08(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=C(O1)N2CCN(CC2)C(=O)CN3CCCCC3C4=CC=C(C=C4)C(F)(F)F)C#N

DOS

IR

Vibrations