Geometry & MOs

Info

ID:	284709
PubChem CID:	104062876
Reduced:	ON4H14C15 (1)
Stoich.:	AB4C14D15 (1)
Weight, g/mol:	280.132411
ΔH_f, kcal/mol:	72.6
Dipole, Da:	4.13
IP(EA), eV:	-7.98(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations