Geometry & MOs

Info

ID:	255185
PubChem CID:	103130565
Reduced:	BrON2C13H13 (1)
Stoich.:	ABC2D13E13 (1)
Weight, g/mol:	286.204513
ΔH_f, kcal/mol:	19.91
Dipole, Da:	5.65
IP(EA), eV:	-9.42(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butyl-2,6-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethanol

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1Br)C)C(=O)C2=NN(C=C2)C

DOS

IR

Vibrations