Geometry & MOs

Info

ID:	84741
PubChem CID:	49869531
Reduced:	O4N5H21C26 (1)
Stoich.:	A4B5C21D26 (1)
Weight, g/mol:	241.110279
ΔH_f, kcal/mol:	98.2
Dipole, Da:	4.66
IP(EA), eV:	-8.8(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxyphenyl)-3-(5-methylpyridin-2-yl)propan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)OC2=CC=CC(=C2)CC(C3=NC4=CC=CC=C4O3)N5C=C(NN5)/C=C/C(=O)N=O

DOS

IR

Vibrations