Geometry & MOs

Info

ID:	255129
PubChem CID:	103130200
Reduced:	NOC5H8 (2)
Stoich.:	ABC5D8 (2)
Weight, g/mol:	222.173213
ΔH_f, kcal/mol:	-60.79
Dipole, Da:	5.94
IP(EA), eV:	-9.35(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,4-dimethyl-1-(1-methylpyrazol-3-yl)cycloheptan-1-ol

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C2(CCCOCC2)O

DOS

IR

Vibrations