Geometry & MOs

Info

ID:	130204
PubChem CID:	51075242
Reduced:	OSN6C15H20 (1)
Stoich.:	ABC6D15E20 (1)
Weight, g/mol:	347.138225
ΔH_f, kcal/mol:	34.98
Dipole, Da:	3.52
IP(EA), eV:	-8.09(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanophenoxy)-N-[(6-pyrazol-1-ylpyridin-3-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CN(C)C1=NC=C(C=C1)NC(=O)N2CCN(CC2)C3=NC=CS3

DOS

IR

Vibrations