Geometry & MOs

Info

ID:	255156
PubChem CID:	103130414
Reduced:	ON5C7H7 (1)
Stoich.:	AB5C7D7 (1)
Weight, g/mol:	220.157563
ΔH_f, kcal/mol:	69.28
Dipole, Da:	8.69
IP(EA), eV:	-10.37(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4,4-dimethylcyclohexyl)-(1-methylpyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=CC(=N1)C(=O)C2=NC=NN2

DOS

IR

Vibrations