Geometry & MOs

Info

ID:	193768
PubChem CID:	78434620
Reduced:	ClFON2C24H25 (1)
Stoich.:	ABCD2E24F25 (1)
Weight, g/mol:	385.055337
ΔH_f, kcal/mol:	-2.79
Dipole, Da:	4.07
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754763
Charge, e:	2

Chem-info

IUPAC name:

4-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]pyrido[2,3-b]pyrazin-4-ium-2,3-dione

Drug info:

PubChemData

Smile

C1CN(CC[NH+]1CC(C2=CC=CC=C2)(C3=CC=C(C=C3)F)O)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations