Geometry & MOs

Info

ID:	209986
PubChem CID:	80747265
Reduced:	ClON4C13H19 (1)
Stoich.:	ABC4D13E19 (1)
Weight, g/mol:	265.091435
ΔH_f, kcal/mol:	4.36
Dipole, Da:	6.08
IP(EA), eV:	-8.81(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butan-2-yl-6,7-difluoroquinoline-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC1N(CC2CCNCC2)C3=C(C(=O)NN=C3)Cl

DOS

IR

Vibrations