Geometry & MOs

Info

ID:	347156
PubChem CID:	127271697
Reduced:	O2N3C17H27 (1)
Stoich.:	A2B3C17D27 (1)
Weight, g/mol:	287.17461
ΔH_f, kcal/mol:	-81.87
Dipole, Da:	4.75
IP(EA), eV:	-9.38(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-1-methyl-N-(2-methylpyrazol-3-yl)pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NCC3CCOCC3

DOS

IR

Vibrations