Geometry & MOs

Info

ID:	59145
PubChem CID:	24771207
Reduced:	ON3H13C20 (1)
Stoich.:	AB3C13D20 (1)
Weight, g/mol:	325.179027
ΔH_f, kcal/mol:	78.01
Dipole, Da:	3.82
IP(EA), eV:	-8.38(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-phenoxypyridin-3-yl)-(4-propan-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C3=C(C4=CC=CC=C4C2=O)N=C5N3C=CC=C5

DOS

IR

Vibrations