Geometry & MOs

Info

ID:	255182
PubChem CID:	103130557
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-59.88
Dipole, Da:	4.42
IP(EA), eV:	-9.23(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-methoxy-3-methylcyclohexyl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CCOC1(CCC(CC1)C)C(=O)C2=NN(C=C2)C

DOS

IR

Vibrations