Geometry & MOs

Info

ID:	345805
PubChem CID:	127270105
Reduced:	NOC13H23 (1)
Stoich.:	ABC13D23 (1)
Weight, g/mol:	304.189926
ΔH_f, kcal/mol:	-80.76
Dipole, Da:	4.46
IP(EA), eV:	-9.14(1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(4-acetamidocyclohexyl)-5-cyclopropyl-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCN(C1)C(=O)C2CCCCCC2

DOS

IR

Vibrations