Geometry & MOs

Info

ID:	164969
PubChem CID:	74479405
Reduced:	FN2O3H12C18 (1)
Stoich.:	AB2C3D12E18 (1)
Weight, g/mol:	327.182101
ΔH_f, kcal/mol:	-3.65
Dipole, Da:	23.83
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.834372
Charge, e:	1

Chem-info

IUPAC name:

1-(8-methyl-4-oxoquinolin-3-ylidene)-3-(2-piperidin-1-ium-1-ylethyl)urea

Drug info:

PubChemData

Smile

CC1=NN(C(=O)C1=CC2=CC=CC=C2F)C3=CC=C(C=C3)C(=O)[O-]

DOS

IR

Vibrations