Geometry & MOs

Info

ID:	284707
PubChem CID:	104062873
Reduced:	BrON4C9H9 (1)
Stoich.:	ABC4D9E9 (1)
Weight, g/mol:	280.132411
ΔH_f, kcal/mol:	54.97
Dipole, Da:	4.51
IP(EA), eV:	-8.32(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(3-ethoxypyridin-2-yl)pyrazol-4-yl]aniline

Drug info:

PubChemData

Smile

COC1=C(N=CC=C1)N2C=C(C(=N2)N)Br

DOS

IR

Vibrations