Geometry & MOs

Info

ID:	84341
PubChem CID:	49865933
Reduced:	NSO5C29H47 (1)
Stoich.:	ABC5D29E47 (1)
Weight, g/mol:	304.157563
ΔH_f, kcal/mol:	-232.76
Dipole, Da:	4.87
IP(EA), eV:	-9.5(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-benzylpyrrolidin-2-yl)-(1H-indol-5-yl)methanone

Drug info:

PubChemData

Smile

CCCCCCCC/C=C\CCCCCCCC(=O)OC[C@H]1COCS(=O)(=O)N1CC2=CC=CC=C2

DOS

IR

Vibrations