Geometry & MOs

Info

ID:	81870
PubChem CID:	49855278
Reduced:	F2O3N5C19H21 (1)
Stoich.:	A2B3C5D19E21 (1)
Weight, g/mol:	377.150619
ΔH_f, kcal/mol:	-127.8
Dipole, Da:	8.48
IP(EA), eV:	-8.47(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-1-(1-cyclopropyl-2-methoxyethyl)-3-(4-methoxy-2,5-dimethylanilino)pyrazin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations