Geometry & MOs

Info

ID:	347230
PubChem CID:	127271771
Reduced:	N3O3C16H25 (1)
Stoich.:	A3B3C16D25 (1)
Weight, g/mol:	333.241627
ΔH_f, kcal/mol:	-110.53
Dipole, Da:	5.96
IP(EA), eV:	-9.44(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NCC3COCCO3

DOS

IR

Vibrations