Geometry & MOs

Info

ID:	81865
PubChem CID:	49855271
Reduced:	ClO2N3H14C19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	414.127025
ΔH_f, kcal/mol:	60.39
Dipole, Da:	4.18
IP(EA), eV:	-8.71(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N=NC2=CC=C(C=C2)N3C(C(C3=O)Cl)C4=CC=CO4

DOS

IR

Vibrations