Geometry & MOs

Info

ID:	262910
PubChem CID:	103329148
Reduced:	SN7C13H17 (1)
Stoich.:	AB7C13D17 (1)
Weight, g/mol:	304.135782
ΔH_f, kcal/mol:	93.9
Dipole, Da:	7.74
IP(EA), eV:	-8.14(-0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-ethyl-6-methyl-4-N-(7-oxabicyclo[2.2.1]heptan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCNC1=NC(=C2C=CSC2=N1)NCCC3=NN(C=N3)C

DOS

IR

Vibrations