Geometry & MOs

Info

ID:	390082
PubChem CID:	134996979
Reduced:	PWO5H12C16 (1)
Stoich.:	ABC5D12E16 (1)
Weight, g/mol:	260.152478
ΔH_f, kcal/mol:	23.43
Dipole, Da:	6.2
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.900957
Charge, e:	0

Chem-info

IUPAC name:

N-(1-cyclohexyl-3-oxopropan-2-yl)pyridine-2-carboxamide

Drug info:

PubChemData

Smile

C[PH+]1C=CC2=CC=CC=C2C=C1.[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[C-]#[O+].[W]

DOS

IR

Vibrations