Geometry & MOs

Info

ID:	347229
PubChem CID:	127271770
Reduced:	O2N3C18H29 (1)
Stoich.:	A2B3C18D29 (1)
Weight, g/mol:	307.189592
ΔH_f, kcal/mol:	-84.97
Dipole, Da:	4.62
IP(EA), eV:	-9.38(0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-(1,4-dioxan-2-ylmethyl)-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CN1C=C(C(=N1)C2CCCCC2)C(=O)NCCOC3CCCC3

DOS

IR

Vibrations