Geometry & MOs

Info

ID:	288116
PubChem CID:	104311727
Reduced:	BrNO2C10H10 (1)
Stoich.:	ABC2D10E10 (1)
Weight, g/mol:	279.00072
ΔH_f, kcal/mol:	-40.2
Dipole, Da:	5.46
IP(EA), eV:	-9.76(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-bromopyridin-2-yl)-(1-ethylimidazol-2-yl)methanone

Drug info:

PubChemData

Smile

C1COCC1C(=O)C2=C(C=CC=N2)Br

DOS

IR

Vibrations