Geometry & MOs

Info

ID:	262952
PubChem CID:	103331056
Reduced:	SN5C14H17 (1)
Stoich.:	AB5C14D17 (1)
Weight, g/mol:	365.03098
ΔH_f, kcal/mol:	72.7
Dipole, Da:	2.65
IP(EA), eV:	-8.73(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromo-3,5-dimethylpyrazol-1-yl)-6-ethyl-N-methylthieno[2,3-d]pyrimidin-2-amine

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)NC)N3C=CN=C3CC

DOS

IR

Vibrations