Geometry & MOs

Info

ID:	210726
PubChem CID:	80846931
Reduced:	F3N4C13H21 (1)
Stoich.:	A3B4C13D21 (1)
Weight, g/mol:	238.084159
ΔH_f, kcal/mol:	-153.45
Dipole, Da:	6.03
IP(EA), eV:	-8.93(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-4-N-methyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=C(C(=NC=N1)N(C)CCC(F)(F)F)C(C)C

DOS

IR

Vibrations