Geometry & MOs

Info

ID:	81868
PubChem CID:	49855276
Reduced:	F2O2N5C18H19 (1)
Stoich.:	A2B2C5D18E19 (1)
Weight, g/mol:	378.145868
ΔH_f, kcal/mol:	-94.06
Dipole, Da:	7.73
IP(EA), eV:	-8.63(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-[(6-methoxy-2,5-dimethylpyridin-3-yl)amino]pyrazin-2-one

Drug info:

PubChemData

Smile

CC1=CC(=C(N=C1OC(F)F)C)NC2=NC(=CN(C2=O)C(C)C3CC3)C#N

DOS

IR

Vibrations