Geometry & MOs

Info

ID:	229522
PubChem CID:	87567926
Reduced:	BrNOC11H22 (1)
Stoich.:	ABCD11E22 (1)
Weight, g/mol:	550.212708
ΔH_f, kcal/mol:	-39.72
Dipole, Da:	22.78
IP(EA), eV:	-6.47(-1.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[N+]1(CCCC(=O)C1)CCC.[Br-]

DOS

IR

Vibrations