Geometry & MOs

Info

ID:	210416
PubChem CID:	80803677
Reduced:	ON5C10H19 (1)
Stoich.:	AB5C10D19 (1)
Weight, g/mol:	300.099809
ΔH_f, kcal/mol:	-24.37
Dipole, Da:	2.7
IP(EA), eV:	-9.26(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-2-N-propyl-4-N-(2,4,5-trifluorophenyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC(C(C)C)NC1=NC(=NC(=N1)N)OC

DOS

IR

Vibrations