Geometry & MOs

Info

ID:	279034
PubChem CID:	103840669
Reduced:	BrOH6C7 (2)
Stoich.:	ABC6D7 (2)
Weight, g/mol:	195.100777
ΔH_f, kcal/mol:	-34.56
Dipole, Da:	3.08
IP(EA), eV:	-9.05(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(dimethylamino)-1,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C(C2=CC(=CC(=C2)Br)Br)O

DOS

IR

Vibrations