Geometry & MOs

Info

ID:	28578
PubChem CID:	828428
Reduced:	OSN2C13H16 (1)
Stoich.:	ABC2D13E16 (1)
Weight, g/mol:	287.05509
ΔH_f, kcal/mol:	-18.49
Dipole, Da:	4.39
IP(EA), eV:	-8.61(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-pyrrolidin-1-yl-5-thiophen-2-ylthieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC(C)OC1=C2C3=C(CCCC3)SC2=NC=N1

DOS

IR

Vibrations