Geometry & MOs

Info

ID:	424398
PubChem CID:	135122547
Reduced:	OSF3N6C26H27 (1)
Stoich.:	ABC3D6E26F27 (1)
Weight, g/mol:	284.088495
ΔH_f, kcal/mol:	-70.05
Dipole, Da:	3.19
IP(EA), eV:	-8.71(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)C1=CC=CC=C1NC(=S)N/N=C/C(=C/C2=CN=C(N=C2)N(C)C3=CC=C(C=C3)OC(F)(F)F)/C

DOS

IR

Vibrations