Geometry & MOs

Info

ID:	245763
PubChem CID:	103023857
Reduced:	ON3C13H21 (1)
Stoich.:	AB3C13D21 (1)
Weight, g/mol:	249.184112
ΔH_f, kcal/mol:	-22.11
Dipole, Da:	5.23
IP(EA), eV:	-9.28(0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(aminomethyl)cyclohexyl]-3-(2-methylpyrazol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CN1C(=CC=N1)CCC(=O)C2CCCC2CN

DOS

IR

Vibrations