Geometry & MOs

Info

ID:	309833
PubChem CID:	126561471
Reduced:	SO5N7C25H31 (1)
Stoich.:	AB5C7D25E31 (1)
Weight, g/mol:	295.087625
ΔH_f, kcal/mol:	-68.44
Dipole, Da:	4.78
IP(EA), eV:	-8.2(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[3-(2-chloro-4-methylphenyl)pyrazin-2-yl]aniline

Drug info:

PubChemData

Smile

CC1=CNC(=NC1)[C@@H](C)[C@H](C)S(=O)(=O)NC2=NN=C(N2C3=C(C=CC=C3OC)OC)C4=NC(=CC=C4)OC

DOS

IR

Vibrations