Geometry & MOs

Info

ID:	207241
PubChem CID:	80364302
Reduced:	BrON3C10H18 (1)
Stoich.:	ABC3D10E18 (1)
Weight, g/mol:	269.165876
ΔH_f, kcal/mol:	-35.32
Dipole, Da:	2.34
IP(EA), eV:	-8.73(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-2-cyclohexyl-5-(2,2-dimethylpropyl)pyrazol-3-amine

Drug info:

PubChemData

Smile

CC(C)(C)CC1=NN(C(=C1Br)N)CCO

DOS

IR

Vibrations