Geometry & MOs

Info

ID:	347211
PubChem CID:	127271752
Reduced:	ON5C23H29 (1)
Stoich.:	AB5C23D29 (1)
Weight, g/mol:	355.189592
ΔH_f, kcal/mol:	36.7
Dipole, Da:	6.95
IP(EA), eV:	-8.57(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-(2,2-dimethyl-1,3-benzodioxol-5-yl)-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)N3CCCN(CC3)C4=CC=CC=C4C#N

DOS

IR

Vibrations