Geometry & MOs

Info

ID:	327168
PubChem CID:	126689139
Reduced:	OF2N4H16C19 (1)
Stoich.:	AB2C4D16E19 (1)
Weight, g/mol:	308.01604
ΔH_f, kcal/mol:	-56.99
Dipole, Da:	3.12
IP(EA), eV:	-8.83(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-4-(propan-2-ylamino)quinoline-3-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=NC3=CC(=C(C=C32)C4=CN=C(C=C4)F)F)N(C1=O)C

DOS

IR

Vibrations