Geometry & MOs

Info

ID:	347228
PubChem CID:	127271769
Reduced:	ON6C18H26 (1)
Stoich.:	AB6C18D26 (1)
Weight, g/mol:	319.225977
ΔH_f, kcal/mol:	17.55
Dipole, Da:	6.34
IP(EA), eV:	-9.23(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-(2-cyclopentyloxyethyl)-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NCCC3=NN=C4N3CCC4

DOS

IR

Vibrations