Geometry & MOs

Info

ID:	49962
PubChem CID:	11538386
Reduced:	ClFN3O3C19H19 (1)
Stoich.:	ABC3D3E19F19 (1)
Weight, g/mol:	392.138559
ΔH_f, kcal/mol:	-114.05
Dipole, Da:	3.1
IP(EA), eV:	-8.76(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[(1E)-1-hydroxyimino-2,3-dihydroinden-5-yl]-3-pyridin-4-ylpyrazol-1-yl]pyridine-3-carbonitrile

Drug info:

PubChemData

Smile

C1CN(CCN1CCOC2=CC(=CC=C2)F)C3=CC(=CC4=C3OC(=O)N4)Cl

DOS

IR

Vibrations