Geometry & MOs

Info

ID:	264374
PubChem CID:	103458141
Reduced:	BrN2O2C16H19 (1)
Stoich.:	AB2C2D16E19 (1)
Weight, g/mol:	271.120843
ΔH_f, kcal/mol:	-38.2
Dipole, Da:	3.16
IP(EA), eV:	-9.39(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-hydroxy-2-phenyl-1-(5-propoxypyridin-3-yl)ethanone

Drug info:

PubChemData

Smile

CCC1=NN(C(=C1Br)CC(=O)C(C2=CC=CC=C2)O)CC

DOS

IR

Vibrations