Geometry & MOs

Info

ID:	287629
PubChem CID:	104249242
Reduced:	BrOCl2N2C10H11 (1)
Stoich.:	ABC2D2E10F11 (1)
Weight, g/mol:	270.059362
ΔH_f, kcal/mol:	-20.03
Dipole, Da:	2.46
IP(EA), eV:	-9.86(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-(oxan-2-ylmethyl)-5,7-dihydrothieno[3,4-d]pyrimidine

Drug info:

PubChemData

Smile

C1CCOC(C1)CC2=NC(=C(C(=N2)Cl)Br)Cl

DOS

IR

Vibrations