Geometry & MOs

Info

ID:	207648
PubChem CID:	80433608
Reduced:	ClON6C13H15 (1)
Stoich.:	ABC6D13E15 (1)
Weight, g/mol:	306.149891
ΔH_f, kcal/mol:	51.75
Dipole, Da:	4.78
IP(EA), eV:	-9.56(-1.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-chloro-3-(2-methylpropyl)-1-(2,4,6-trimethylphenyl)pyrazol-4-yl]methanol

Drug info:

PubChemData

Smile

CC(C)CC1=NN(C(=C1CO)Cl)C2=NC=NC3=C2NC=N3

DOS

IR

Vibrations