Geometry & MOs

Info

ID:	229601
PubChem CID:	87568126
Reduced:	NSiC8O12H20 (1)
Stoich.:	ABC8D12E20 (1)
Weight, g/mol:	473.128644
ΔH_f, kcal/mol:	-316.13
Dipole, Da:	9.23
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.793060
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-amino-7-[2-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidin-4-yl]amino]butyl 2,2,2-trifluoroacetate

Drug info:

PubChemData

Smile

C(CO[N+](OCCO)(OCCO)OCCO)O.[O-][Si]([O-])([O-])[O-]

DOS

IR

Vibrations