Geometry & MOs

Info

ID:	255179
PubChem CID:	103130550
Reduced:	N2O2C11H18 (1)
Stoich.:	A2B2C11D18 (1)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	-50.22
Dipole, Da:	4.57
IP(EA), eV:	-9.54(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC(CC)(C(=O)C1=NN(C=C1)C)OC

DOS

IR

Vibrations