Geometry & MOs

Info

ID:	449321
PubChem CID:	135297608
Reduced:	ClF2O2N5H20C23 (1)
Stoich.:	AB2C2D5E20F23 (1)
Weight, g/mol:	423.175833
ΔH_f, kcal/mol:	-73.27
Dipole, Da:	6.85
IP(EA), eV:	-9.89(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(8R)-3-(2,6-difluorophenyl)-8-methyl-5-propan-2-yl-6,7-dihydro-5H-cinnolin-8-yl]pyridine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CC2(CCC1C3=CC(=NN=C32)C4=C(C=CC=C4F)F)C5=NC(=NC=C5Cl)C(=O)NCCO

DOS

IR

Vibrations