Geometry & MOs

Info

ID:	284711
PubChem CID:	104062878
Reduced:	ON4H14C15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	280.132411
ΔH_f, kcal/mol:	71.7
Dipole, Da:	3.75
IP(EA), eV:	-8.29(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=C(N=CC=C1)N2C=C(C=N2)C3=CC(=CC=C3)N

DOS

IR

Vibrations