Geometry & MOs

Info

ID:	368539
PubChem CID:	127329405
Reduced:	NO4C12H21 (1)
Stoich.:	AB4C12D21 (1)
Weight, g/mol:	342.205576
ΔH_f, kcal/mol:	-189.66
Dipole, Da:	4.4
IP(EA), eV:	-9.59(0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,1-dimethyl-4-oxo-N-(1-propylpiperidin-4-yl)cinnoline-3-carboxamide

Drug info:

PubChemData

Smile

C1COCCC1CC(=O)NCC2COCCO2

DOS

IR

Vibrations