Geometry & MOs

Info

ID:	49990
PubChem CID:	11538617
Reduced:	H2P3Na5O12 (1)
Stoich.:	A2B3C5D12 (1)
Weight, g/mol:	356.162409
ΔH_f, kcal/mol:	-980.91
Dipole, Da:	10.64
IP(EA), eV:	-8.51(1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,2-dimethylpropylamino)methyl]-N-(3-fluorophenyl)-4-(trifluoromethyl)pyrimidin-2-amine

Drug info:

PubChemData

Smile

OO.[O-]P(=O)([O-])OP(=O)([O-])OP(=O)([O-])[O-].[Na+].[Na+].[Na+].[Na+].[Na+]

DOS

IR

Vibrations