Geometry & MOs

Info

ID:	223646
PubChem CID:	85335361
Reduced:	OCl2F3N3C22H22 (1)
Stoich.:	AB2C3D3E22F22 (1)
Weight, g/mol:	472.154683
ΔH_f, kcal/mol:	-159.92
Dipole, Da:	7.54
IP(EA), eV:	-9.56(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-fluoro-4-[(2-pyridin-3-ylquinolin-4-yl)methoxy]phenyl]-2-N-hydroxycyclopropane-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NCC#N)NC(C1=CC=C(C=C1)C2=CC(=C(C=C2)Cl)Cl)C(F)(F)F

DOS

IR

Vibrations