Geometry & MOs

Info

ID:	347255
PubChem CID:	127271796
Reduced:	ON4C20H34 (1)
Stoich.:	AB4C20D34 (1)
Weight, g/mol:	398.243024
ΔH_f, kcal/mol:	-51.52
Dipole, Da:	6.66
IP(EA), eV:	-8.37(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-cyclohexyl-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]-1-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)N1CCCC(C1)CNC(=O)C2=CN(N=C2C3CCCCC3)C

DOS

IR

Vibrations