Geometry & MOs

Info

ID:	229495
PubChem CID:	87567849
Reduced:	O3N5F6C23H25 (1)
Stoich.:	A3B5C6D23E25 (1)
Weight, g/mol:	527.139208
ΔH_f, kcal/mol:	-343.8
Dipole, Da:	2.25
IP(EA), eV:	-9.43(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C(C2=C(N=C(C=C2)C3=C(C=CC=C3OC4CCCCC4)C(F)(F)F)N(C1N)OC(=O)C(F)(F)F)N

DOS

IR

Vibrations