Geometry & MOs

Info

ID:	229115
PubChem CID:	87566987
Reduced:	BrPF2O3C12H16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	561.228692
ΔH_f, kcal/mol:	-290.53
Dipole, Da:	2.39
IP(EA), eV:	-9.56(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2,4-diamino-3-methyl-7-[2-(4-propan-2-ylpiperazin-1-yl)-6-(trifluoromethyl)phenyl]-2,4-dihydropyrido[2,3-d]pyrimidin-1-yl] 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

CCC(C)OP(=O)(C(C1=C(C=C(C=C1)C)Br)(F)F)O

DOS

IR

Vibrations