Geometry & MOs

Info

ID:	361170
PubChem CID:	127302114
Reduced:	O3N4C21H28 (1)
Stoich.:	A3B4C21D28 (1)
Weight, g/mol:	299.163377
ΔH_f, kcal/mol:	-76.74
Dipole, Da:	5.66
IP(EA), eV:	-8.53(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclohexylmethyl)-1-methyl-4-oxocinnoline-3-carboxamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=O)C(=N1)C(=O)NCC3(CCCCC3)N4CCOCC4

DOS

IR

Vibrations