Geometry & MOs

Info

ID:	372749
PubChem CID:	131303893
Reduced:	BrOSC13H15 (1)
Stoich.:	ABCD13E15 (1)
Weight, g/mol:	212.058578
ΔH_f, kcal/mol:	-24.41
Dipole, Da:	3.5
IP(EA), eV:	-8.28(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5H-indeno[1,2-d]pyrimidine-4-carboxylic acid

Drug info:

PubChemData

Smile

CCC1=CSC2=CC(=CC(=C21)OCC)CBr

DOS

IR

Vibrations