Geometry & MOs

Info

ID:	255183
PubChem CID:	103130558
Reduced:	N2O2C13H20 (1)
Stoich.:	A2B2C13D20 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-55.1
Dipole, Da:	4.29
IP(EA), eV:	-9.35(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-2-methoxy-1-(1-methylpyrazol-3-yl)ethanone

Drug info:

PubChemData

Smile

CC1CCCC(C1)(C(=O)C2=NN(C=C2)C)OC

DOS

IR

Vibrations