Geometry & MOs

Info

ID:	241103
PubChem CID:	96021170
Reduced:	NC8H9 (2)
Stoich.:	AB8C9 (2)
Weight, g/mol:	344.171162
ΔH_f, kcal/mol:	33.47
Dipole, Da:	1.34
IP(EA), eV:	-8.9(0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1-[(2R)-2-hydroxy-2-[2-(trifluoromethyl)phenyl]propyl]piperidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)[C@H](NCC2)C3=CC=CC(=N3)C

DOS

IR

Vibrations