Geometry & MOs

Info

ID:	205680
PubChem CID:	80133708
Reduced:	ClON4C12H17 (1)
Stoich.:	ABC4D12E17 (1)
Weight, g/mol:	298.181191
ΔH_f, kcal/mol:	12.2
Dipole, Da:	2.39
IP(EA), eV:	-9.52(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-chloro-1-methyl-3-propan-2-ylpyrazol-4-yl)-(2-ethylcyclohexyl)methanol

Drug info:

PubChemData

Smile

CC(C)C1=NN(C(=C1C(C2=CC=NN2C)O)Cl)C

DOS

IR

Vibrations