Geometry & MOs

Info

ID:	255404
PubChem CID:	103131818
Reduced:	ON2C9H14 (1)
Stoich.:	AB2C9D14 (1)
Weight, g/mol:	234.173213
ΔH_f, kcal/mol:	-19.26
Dipole, Da:	5.21
IP(EA), eV:	-9.36(0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-methyl-2-[2-(1-methylpyrazol-3-yl)propan-2-yl]cyclohexan-1-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations