Geometry & MOs

Info

ID:	424466
PubChem CID:	135122777
Reduced:	ClO3F6N6H23C24 (1)
Stoich.:	AB3C6D6E23F24 (1)
Weight, g/mol:	298.104146
ΔH_f, kcal/mol:	-380.12
Dipole, Da:	4.13
IP(EA), eV:	-8.8(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N,5-N-dimethyl-2-N-[4-(trifluoromethoxy)phenyl]pyrimidine-2,5-diamine

Drug info:

PubChemData

Smile

CNC(=O)COC1=CC2=C(C=CC(=C2)NC3=NC(=NC=C3Cl)N4CC(CC(C4)C(F)(F)F)C(F)(F)F)N(C1=O)C

DOS

IR

Vibrations