Geometry & MOs

Info

ID:	373818
PubChem CID:	131320350
Reduced:	BrO3C12H13 (1)
Stoich.:	AB3C12D13 (1)
Weight, g/mol:	282.99564
ΔH_f, kcal/mol:	-121.44
Dipole, Da:	8.11
IP(EA), eV:	-9.7(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 6-bromo-2,3-dimethylimidazo[1,2-a]pyrimidine-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)CC(=O)O)C(C(=O)C)Br

DOS

IR

Vibrations