Geometry & MOs

Info

ID:	129290
PubChem CID:	51072189
Reduced:	BN2O2C13H21 (1)
Stoich.:	AB2C2D13E21 (1)
Weight, g/mol:	202.01056
ΔH_f, kcal/mol:	-145.29
Dipole, Da:	2.53
IP(EA), eV:	-8.27(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-5-methyl-3-propan-2-yl-1H-pyrazole

Drug info:

PubChemData

Smile

B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N(C)C

DOS

IR

Vibrations