Geometry & MOs

Info

ID:	262873
PubChem CID:	103324988
Reduced:	OSN4C13H18 (1)
Stoich.:	ABC4D13E18 (1)
Weight, g/mol:	271.089167
ΔH_f, kcal/mol:	4.49
Dipole, Da:	2.46
IP(EA), eV:	-8.35(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-(2-pyridin-3-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CC1CN(C(CO1)C)C2=C3C=CSC3=NC(=N2)NC

DOS

IR

Vibrations