Geometry & MOs

Info

ID:	330114
PubChem CID:	127247101
Reduced:	N3C8H10 (2)
Stoich.:	A3B8C10 (2)
Weight, g/mol:	298.159375
ΔH_f, kcal/mol:	92.13
Dipole, Da:	7.46
IP(EA), eV:	-8.82(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-fluoro-3-methyl-2-[[3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]methyl]-1H-indole

Drug info:

PubChemData

Smile

CC1=CC(=NC2=C(C=NN12)CN3CCC(C3)C4=CC=NN4)C

DOS

IR

Vibrations