Geometry & MOs

Info

ID:	26602
PubChem CID:	793377
Reduced:	OC3H4 (4)
Stoich.:	AB3C4 (4)
Weight, g/mol:	315.03711
ΔH_f, kcal/mol:	-145.91
Dipole, Da:	4.51
IP(EA), eV:	-8.54(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-5,7-dimethyl-2-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1OCC(=O)OCC

DOS

IR

Vibrations