Geometry & MOs

Info

ID:	255194
PubChem CID:	103130614
Reduced:	ON5C8H11 (1)
Stoich.:	AB5C8D11 (1)
Weight, g/mol:	222.173213
ΔH_f, kcal/mol:	37.9
Dipole, Da:	6.8
IP(EA), eV:	-9.41(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-dimethylcyclohexyl)-(1-methylpyrazol-3-yl)methanol

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(C2=C(NN=C2)N)O

DOS

IR

Vibrations