Geometry & MOs

Info

ID:	228621
PubChem CID:	87565432
Reduced:	NSO5C10H21 (1)
Stoich.:	ABC5D10E21 (1)
Weight, g/mol:	531.181742
ΔH_f, kcal/mol:	-225.16
Dipole, Da:	11.84
IP(EA), eV:	-10.01(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-methyl-7-[2-(4-methylpiperazin-1-yl)-6-(trifluoromethyl)phenyl]pyrido[2,3-d]pyrimidine-2,4-diamine;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCCC[NH+]1CCCC(=O)C1.COS(=O)(=O)[O-]

DOS

IR

Vibrations