Geometry & MOs

Info

ID:	193892
PubChem CID:	78451593
Reduced:	F3N6C18H26 (1)
Stoich.:	A3B6C18D26 (1)
Weight, g/mol:	425.235279
ΔH_f, kcal/mol:	-77.7
Dipole, Da:	4.87
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.860115
Charge, e:	1

Chem-info

IUPAC name:

3-[(7,8-dimethyl-2-oxo-3H-quinolin-3-yl)methyl-[(2-fluorophenyl)carbamoyl]amino]propyl-dimethylazanium

Drug info:

PubChemData

Smile

CC(C1=NN=NN1C(C)(C)C)[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

DOS

IR

Vibrations