Geometry & MOs

Info

ID:	308920
PubChem CID:	126531867
Reduced:	ClFN2O2C20H20 (1)
Stoich.:	ABC2D2E20F20 (1)
Weight, g/mol:	464.146697
ΔH_f, kcal/mol:	-75.64
Dipole, Da:	6.25
IP(EA), eV:	-8.78(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[3-chloro-7-fluoro-4-[[1-(2-fluorophenyl)cyclopropyl]amino]quinolin-6-yl]phenyl]propan-2-ol

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)OCCCO)F)NC2=C(C=NC3=CC=CC=C32)Cl

DOS

IR

Vibrations