Geometry & MOs

Info

ID:	372275
PubChem CID:	131295305
Reduced:	BrN3C8H8 (1)
Stoich.:	AB3C8D8 (1)
Weight, g/mol:	273.01129
ΔH_f, kcal/mol:	61.91
Dipole, Da:	2.8
IP(EA), eV:	-9.98(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-bromo-4,6-dimethyl-6,7-dihydro-5H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CN=C1C(C#N)N)Br

DOS

IR

Vibrations