Geometry & MOs

Info

ID:	255180
PubChem CID:	103130552
Reduced:	NOC6H9 (2)
Stoich.:	ABC6D9 (2)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-48.49
Dipole, Da:	4.27
IP(EA), eV:	-9.33(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethoxycyclohexyl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2(CCCCC2)OC

DOS

IR

Vibrations