Geometry & MOs

Info

ID:	321500
PubChem CID:	126666445
Reduced:	NF3C11H14 (1)
Stoich.:	AB3C11D14 (1)
Weight, g/mol:	426.109483
ΔH_f, kcal/mol:	-136.21
Dipole, Da:	2.36
IP(EA), eV:	-9.5(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[4-[(2-chlorocyclopropyl)carbamoylamino]phenoxy]-7-methoxyquinoline-6-carboxamide

Drug info:

PubChemData

Smile

CC1(CC(=CC(=C1)F)F)[C@H]2C[C@@H](CN2)F

DOS

IR

Vibrations