Geometry & MOs

Info

ID:	81867
PubChem CID:	49855273
Reduced:	ClF2O3N4C17H19 (1)
Stoich.:	AB2C3D4E17F19 (1)
Weight, g/mol:	375.150681
ΔH_f, kcal/mol:	-160.72
Dipole, Da:	7.94
IP(EA), eV:	-8.49(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-cyclopropylethyl)-6-[[6-(difluoromethoxy)-2,5-dimethylpyridin-3-yl]amino]-5-oxopyrazine-2-carbonitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=N1)OC(F)F)NC2=NC(=CN(C2=O)C(COC)C3CC3)Cl

DOS

IR

Vibrations