Geometry & MOs

Info

ID:	367803
PubChem CID:	127325900
Reduced:	NO2C11H17 (2)
Stoich.:	AB2C11D17 (2)
Weight, g/mol:	386.243024
ΔH_f, kcal/mol:	-191.73
Dipole, Da:	3.08
IP(EA), eV:	-9.47(0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(2,5-dimethylpyrazole-3-carbonyl)-methylamino]methyl]cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide

Drug info:

PubChemData

Smile

CN(CC1CCC(CC1)NC(=O)C2CC3CCC2O3)C(=O)C4CC5CCC4O5

DOS

IR

Vibrations