Geometry & MOs

Info

ID:	207235
PubChem CID:	80364071
Reduced:	ClN3C13H22 (1)
Stoich.:	AB3C13D22 (1)
Weight, g/mol:	283.181526
ΔH_f, kcal/mol:	-8.53
Dipole, Da:	2.6
IP(EA), eV:	-8.82(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)CC1=NN(C(=C1Cl)N)C2CCCC2

DOS

IR

Vibrations