Geometry & MOs

Info

ID:	444457
PubChem CID:	135262499
Reduced:	ClON3C13H16 (1)
Stoich.:	ABC3D13E16 (1)
Weight, g/mol:	153.036068
ΔH_f, kcal/mol:	-12.92
Dipole, Da:	3.61
IP(EA), eV:	-8.84(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4a,7a-dihydrothieno[2,3-d]pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1(CCN(CC1)C2=C(C=C3C=NNC3=C2)Cl)O

DOS

IR

Vibrations