Geometry & MOs

Info

ID:	262893
PubChem CID:	103327523
Reduced:	OSN5C13H13 (1)
Stoich.:	ABC5D13E13 (1)
Weight, g/mol:	305.167417
ΔH_f, kcal/mol:	46.47
Dipole, Da:	3.65
IP(EA), eV:	-8.41(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-4-N-methyl-4-N-(2-pyrrolidin-1-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

COC1=NC=C(C=C1)CNC2=C3C=CSC3=NC(=N2)N

DOS

IR

Vibrations