Geometry & MOs

Info

ID:	333567
PubChem CID:	127252119
Reduced:	OF3N6H17C20 (1)
Stoich.:	AB3C6D17E20 (1)
Weight, g/mol:	415.136843
ΔH_f, kcal/mol:	-84.37
Dipole, Da:	4.58
IP(EA), eV:	-9.33(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

pyrazin-2-yl-[3-[2-[[4-(trifluoromethyl)pyridin-2-yl]amino]pyrimidin-4-yl]pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

C1CN(CC1C2=NC(=NC=C2)NC3=NC=CC(=C3)C(F)(F)F)C(=O)C4=CN=CC=C4

DOS

IR

Vibrations