Geometry & MOs

Info

ID:	217117
PubChem CID:	85087283
Reduced:	O10C13H18 (1)
Stoich.:	A10B13C18 (1)
Weight, g/mol:	333.12774
ΔH_f, kcal/mol:	-438.48
Dipole, Da:	5.69
IP(EA), eV:	-10.88(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-cyclopropyl-7-(2,6-dimethylpyridin-4-yl)-6-fluoro-4-oxoquinoline-3-carbonitrile

Drug info:

PubChemData

Smile

CC(=O)OCC(C(C(C(=O)OC)OC(=O)C)OC(=O)C)OC=O

DOS

IR

Vibrations