Geometry & MOs

Info

ID:	180683
PubChem CID:	76668991
Reduced:	ClON2F3H12C13 (1)
Stoich.:	ABC2D3E12F13 (1)
Weight, g/mol:	314.96617
ΔH_f, kcal/mol:	-143.23
Dipole, Da:	5.36
IP(EA), eV:	-8.89(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-4-chloro-2-propan-2-yloxy-4aH-quinolin-5-one

Drug info:

PubChemData

Smile

[C-]#[N+]C1=C(C=C(C=C1)N2CCCC2C(C(F)(F)F)O)Cl

DOS

IR

Vibrations