Geometry & MOs

Info

ID:	228667
PubChem CID:	87565511
Reduced:	O3H8C9 (1)
Stoich.:	A3B8C9 (1)
Weight, g/mol:	545.129787
ΔH_f, kcal/mol:	-90.6
Dipole, Da:	0.88
IP(EA), eV:	-8.66(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1O)O)C=C=O

DOS

IR

Vibrations