Geometry & MOs

Info

ID:	262834
PubChem CID:	103321679
Reduced:	ClSN6C12H13 (1)
Stoich.:	ABC6D12E13 (1)
Weight, g/mol:	309.106647
ΔH_f, kcal/mol:	87.77
Dipole, Da:	4.26
IP(EA), eV:	-9.11(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-4-(3,3-dimethylpiperidin-1-yl)-6-ethylthieno[2,3-d]pyrimidine

Drug info:

PubChemData

Smile

CC1=CC2=C(N=C(N=C2S1)Cl)NCCC3=NN=CN3C

DOS

IR

Vibrations