Geometry & MOs

Info

ID:	84392
PubChem CID:	49866188
Reduced:	OF3N3H8C16 (1)
Stoich.:	AB3C3D8E16 (1)
Weight, g/mol:	322.148141
ΔH_f, kcal/mol:	-48.74
Dipole, Da:	2.27
IP(EA), eV:	-9.33(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3-benzylpyrrolidin-3-yl)-(7-fluoro-1H-indol-5-yl)methanone

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1N2C=C(C=N2)C3=NC4=C(O3)C=CC(=C4)F)F)F

DOS

IR

Vibrations