Geometry & MOs

Info

ID:	400080
PubChem CID:	135045131
Reduced:	NOBr2H11C12 (1)
Stoich.:	ABC2D11E12 (1)
Weight, g/mol:	255.125929
ΔH_f, kcal/mol:	20.49
Dipole, Da:	1.64
IP(EA), eV:	-9.8(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methoxyphenyl)-3-(6-methylpyridin-2-yl)propan-2-one

Drug info:

PubChemData

Smile

C=C[C@H]1[C@H](OC(=N1)C2=CC(=CC=C2)Br)CBr

DOS

IR

Vibrations