Geometry & MOs

Info

ID:	255432
PubChem CID:	103131990
Reduced:	BrN2C10H17 (1)
Stoich.:	AB2C10D17 (1)
Weight, g/mol:	224.108026
ΔH_f, kcal/mol:	7.51
Dipole, Da:	3.98
IP(EA), eV:	-9.33(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(3-chloro-5,5-dimethylcyclohexen-1-yl)-1-methylpyrazole

Drug info:

PubChemData

Smile

CC(CC(C)(C)C1=NN(C=C1)C)Br

DOS

IR

Vibrations