Geometry & MOs

Info

ID:	253581
PubChem CID:	103119386
Reduced:	O4N5C12H19 (1)
Stoich.:	A4B5C12D19 (1)
Weight, g/mol:	234.136828
ΔH_f, kcal/mol:	-128.15
Dipole, Da:	8.73
IP(EA), eV:	-10.02(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,5-dimethyl-2-(1-methylpyrazole-3-carbonyl)cyclohexan-1-one

Drug info:

PubChemData

Smile

C1CC(OC1)CNC(=O)CN2C(=C(N=N2)C(=O)O)CCN

DOS

IR

Vibrations