Geometry & MOs

Info

ID:	240785
PubChem CID:	93617540
Reduced:	O2N4C19H22 (1)
Stoich.:	A2B4C19D22 (1)
Weight, g/mol:	332.14601
ΔH_f, kcal/mol:	-32.54
Dipole, Da:	1.77
IP(EA), eV:	-8.89(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1-pyrimidin-2-ylpiperidin-4-yl)-2-(2,2,2-trifluoroethoxy)propanamide

Drug info:

PubChemData

Smile

C1CN(CCC1NC(=O)[C@@H]2CC3=CC=CC=C3OC2)C4=NC=CC=N4

DOS

IR

Vibrations