Geometry & MOs

Info

ID:	241060
PubChem CID:	93621484
Reduced:	ON5C16H19 (1)
Stoich.:	AB5C16D19 (1)
Weight, g/mol:	337.153875
ΔH_f, kcal/mol:	20.29
Dipole, Da:	3.02
IP(EA), eV:	-8.81(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-cyanophenoxy)-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=NC(=CC=C1)C(=O)N[C@H]2CCCN(C2)C3=NC=CC=N3

DOS

IR

Vibrations