Geometry & MOs

Info

ID:	208358
PubChem CID:	80523154
Reduced:	ClON2H9C13 (1)
Stoich.:	ABC2D9E13 (1)
Weight, g/mol:	266.116761
ΔH_f, kcal/mol:	58.05
Dipole, Da:	5.37
IP(EA), eV:	-9.57(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-methoxyphenyl)-4-pyridin-3-yl-1H-pyrazol-3-amine

Drug info:

PubChemData

Smile

CC1=CC=C(O1)/C(=C(/C#N)\C2=CN=CC=C2)/Cl

DOS

IR

Vibrations