Geometry & MOs

Info

ID:	333590
PubChem CID:	127252142
Reduced:	OF3N6C18H21 (1)
Stoich.:	AB3C6D18E21 (1)
Weight, g/mol:	421.172559
ΔH_f, kcal/mol:	-128.15
Dipole, Da:	4.73
IP(EA), eV:	-9.09(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN(C)CC(=O)N1CCC(C1)C2=NC(=NC=C2)NC3=NC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations