Geometry & MOs

Info

ID:	81866
PubChem CID:	49855272
Reduced:	ClF2O3N4C18H21 (1)
Stoich.:	AB2C3D4E18F21 (1)
Weight, g/mol:	400.111375
ΔH_f, kcal/mol:	-171.36
Dipole, Da:	4.69
IP(EA), eV:	-8.48(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations