Geometry & MOs

Info

ID:	262878
PubChem CID:	103325629
Reduced:	OSN4C14H22 (1)
Stoich.:	ABC4D14E22 (1)
Weight, g/mol:	277.136117
ΔH_f, kcal/mol:	-13.21
Dipole, Da:	2.05
IP(EA), eV:	-8.31(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-ethyl-4-N-(1-methylpyrrolidin-3-yl)thieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCCNC1=NC(=C2C=CSC2=N1)N(CCC)CCO

DOS

IR

Vibrations