Geometry & MOs

Info

ID:	255116
PubChem CID:	103130094
Reduced:	ON3C12H21 (1)
Stoich.:	AB3C12D21 (1)
Weight, g/mol:	230.141913
ΔH_f, kcal/mol:	-26.69
Dipole, Da:	3.51
IP(EA), eV:	-8.6(0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3,4-dimethylphenyl)-1-(1-methylpyrazol-3-yl)ethanol

Drug info:

PubChemData

Smile

CC(C)N1CCC(CC1)(C2=NN(C=C2)C)O

DOS

IR

Vibrations