Geometry & MOs

Info

ID:	58467
PubChem CID:	24701934
Reduced:	BrN3H10C13 (1)
Stoich.:	AB3C10D13 (1)
Weight, g/mol:	257.105193
ΔH_f, kcal/mol:	73.81
Dipole, Da:	5.13
IP(EA), eV:	-8.28(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-methoxy-4-(pyridin-2-ylmethoxy)phenyl]ethanone

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)C2=NC3=C(N2)C=C(C=C3)N

DOS

IR

Vibrations