Geometry & MOs

Info

ID:	186725
PubChem CID:	77473496
Reduced:	N4O7C34H38 (1)
Stoich.:	A4B7C34D38 (1)
Weight, g/mol:	241.092578
ΔH_f, kcal/mol:	-237.83
Dipole, Da:	9.56
IP(EA), eV:	-9.54(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,3,3-trifluoro-2-hydroxy-1-(4-methoxypiperidin-1-yl)propan-1-one

Drug info:

PubChemData

Smile

CC(C)C(C(=O)C(=O)NCC1=CC(=CC=C1)C(=O)OC)NC(=O)C(C)NC(=O)C(CC2=CC=CC=C2)NC(=O)C3=CC=CC=C3

DOS

IR

Vibrations