Geometry & MOs

Info

ID:	225833
PubChem CID:	87226504
Reduced:	OF2N4C12H14 (1)
Stoich.:	AB2C4D12E14 (1)
Weight, g/mol:	399.207053
ΔH_f, kcal/mol:	-33.5
Dipole, Da:	7.2
IP(EA), eV:	-9.53(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-3-(5-fluoroindol-2-ylidene)-N-[2-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]ethyl]-2-methyl-1H-pyrazole-5-carboxamide

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C(=O)NCCN2CC(C2)(F)F)C#C

DOS

IR

Vibrations