Geometry & MOs

Info

ID:	445917
PubChem CID:	135269930
Reduced:	SO2N6C21H24 (1)
Stoich.:	AB2C6D21E24 (1)
Weight, g/mol:	446.254258
ΔH_f, kcal/mol:	59.11
Dipole, Da:	5.55
IP(EA), eV:	-8.46(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methyl-5-(3-methyl-5-phenyl-2H-1,3,4-oxadiazol-2-yl)-3-[6-(4-methylpiperazin-1-yl)pyridin-3-yl]-2H-pyrazin-6-amine

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C(=O)N(C)C)N(C)/C(=C(/N)\N=C)/C2=NN=C(O2)C3=CC=CS3

DOS

IR

Vibrations