Geometry & MOs

Info

ID:	288126
PubChem CID:	104311784
Reduced:	BrNO2C14H16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	306.00039
ΔH_f, kcal/mol:	-46.16
Dipole, Da:	4.97
IP(EA), eV:	-9.55(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromopyridin-2-yl)-(5-ethoxypyridin-3-yl)methanone

Drug info:

PubChemData

Smile

C1CC2(C1)CC(CCO2)C(=O)C3=C(C=CC=N3)Br

DOS

IR

Vibrations