Geometry & MOs

Info

ID:	355467
PubChem CID:	127288530
Reduced:	OSN7C14H21 (1)
Stoich.:	ABC7D14E21 (1)
Weight, g/mol:	346.236876
ΔH_f, kcal/mol:	60.45
Dipole, Da:	8.13
IP(EA), eV:	-9.32(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-[3-(4-methylpyrazol-1-yl)piperidin-1-yl]-1-oxopropan-2-yl]cyclohexanecarboxamide

Drug info:

PubChemData

Smile

CC1=CN(N=C1)C2CCCN(C2)C(=O)CCSC3=NN=NN3C

DOS

IR

Vibrations