Geometry & MOs

Info

ID:	230567
PubChem CID:	87571384
Reduced:	FNSO3H11C14 (2)
Stoich.:	ABCD3E11F14 (2)
Weight, g/mol:	303.11384
ΔH_f, kcal/mol:	-201.95
Dipole, Da:	8.61
IP(EA), eV:	-9.07(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[2-chloro-5-[[1-(methylamino)cyclopropyl]methoxy]pyridin-3-yl]aniline

Drug info:

PubChemData

Smile

COC(=O)C1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C(C3=CC=C(C=C3)S(=O)(=O)C4CC4)OC5=C(C=C(C=C5)F)F

DOS

IR

Vibrations