Geometry & MOs

Info

ID:	85590
PubChem CID:	49877391
Reduced:	ClOSN3C14H15 (1)
Stoich.:	ABCD3E14F15 (1)
Weight, g/mol:	282.083171
ΔH_f, kcal/mol:	55.77
Dipole, Da:	3.41
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.750022
Charge, e:	-1

Chem-info

IUPAC name:

6-ethyl-2-methyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine;chloride

Drug info:

PubChemData

Smile

CCC1=CC2=C(N=C(N=C2S1)C)NCC3=CC=CO3.[Cl-]

DOS

IR

Vibrations