Geometry & MOs

Info

ID:	255433
PubChem CID:	103132001
Reduced:	ClN2C12H17 (1)
Stoich.:	AB2C12D17 (1)
Weight, g/mol:	242.04186
ΔH_f, kcal/mol:	12.17
Dipole, Da:	4.88
IP(EA), eV:	-8.94(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-bromo-1-methylcyclopentyl)-1-methylpyrazole

Drug info:

PubChemData

Smile

CC1(CC(C=C(C1)C2=NN(C=C2)C)Cl)C

DOS

IR

Vibrations