Geometry & MOs

Info

ID:	241064
PubChem CID:	93621489
Reduced:	O2N6C17H22 (1)
Stoich.:	A2B6C17D22 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-15.95
Dipole, Da:	4.05
IP(EA), eV:	-8.87(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCN1C(=O)C=CC(=N1)C(=O)N[C@@H]2CCCN(C2)C3=NC=CC=N3

DOS

IR

Vibrations