Geometry & MOs

Info

ID:	288133
PubChem CID:	104311814
Reduced:	BrNO2H12C14 (1)
Stoich.:	ABC2D12E14 (1)
Weight, g/mol:	291.00072
ΔH_f, kcal/mol:	-14.95
Dipole, Da:	4.7
IP(EA), eV:	-8.79(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-amino-5-methylpyridin-3-yl)-(3-bromopyridin-2-yl)methanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)C2=C(C=CC=N2)Br

DOS

IR

Vibrations