Geometry & MOs

Info

ID:	277395
PubChem CID:	103828251
Reduced:	OSF3N3H12C13 (1)
Stoich.:	ABC3D3E12F13 (1)
Weight, g/mol:	255.137162
ΔH_f, kcal/mol:	-157.95
Dipole, Da:	5.58
IP(EA), eV:	-8.94(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-(2-ethylcyclopropyl)quinoline-2-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CC(=N2)C(=O)NCCSC(F)(F)F)N

DOS

IR

Vibrations