Geometry & MOs

Info

ID:	162531
PubChem CID:	57394961
Reduced:	BrO2N4H17C18 (1)
Stoich.:	AB2C4D17E18 (1)
Weight, g/mol:	247.040006
ΔH_f, kcal/mol:	24.76
Dipole, Da:	3.58
IP(EA), eV:	-9.27(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-chloropyridin-3-yl)-2-phenoxyethanone

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)OCC(=O)C2=CN=C(C=C2)NCCN3C=CN=C3)Br

DOS

IR

Vibrations