Geometry & MOs

Info

ID:	360560
PubChem CID:	127301205
Reduced:	O2F3N3C17H20 (1)
Stoich.:	A2B3C3D17E20 (1)
Weight, g/mol:	365.192626
ΔH_f, kcal/mol:	-198.28
Dipole, Da:	6.99
IP(EA), eV:	-9.08(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-oxo-1-piperidin-1-ylpropan-2-yl)-2-[2-(2,2,2-trifluoro-1-hydroxyethyl)pyrrolidin-1-yl]acetamide

Drug info:

PubChemData

Smile

C1CC(N(C1)CC(=O)N2CCC(=N2)C3=CC=CC=C3)C(C(F)(F)F)O

DOS

IR

Vibrations