Geometry & MOs

Info

ID:	262894
PubChem CID:	103327605
Reduced:	SN5C15H23 (1)
Stoich.:	AB5C15D23 (1)
Weight, g/mol:	276.065652
ΔH_f, kcal/mol:	37.03
Dipole, Da:	2.94
IP(EA), eV:	-8.21(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-4-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)N)N(C)CCN3CCCC3

DOS

IR

Vibrations