Geometry & MOs

Info

ID:	229258
PubChem CID:	87567280
Reduced:	ON5C10H15 (1)
Stoich.:	AB5C10D15 (1)
Weight, g/mol:	721.241149
ΔH_f, kcal/mol:	31.98
Dipole, Da:	1.56
IP(EA), eV:	-8.37(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC/C=C/NC1=NC=C2C(N1C)(N=CN2)O

DOS

IR

Vibrations