Geometry & MOs

Info

ID:	221987
PubChem CID:	85293198
Reduced:	O6C25H42 (1)
Stoich.:	A6B25C42 (1)
Weight, g/mol:	440.101763
ΔH_f, kcal/mol:	-319.32
Dipole, Da:	4.59
IP(EA), eV:	-9.99(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-hydroxy-3-phenyl-1-(trifluoromethylsulfonyl)-2H-indol-2-yl]-pyrrolidin-1-ylmethanone

Drug info:

PubChemData

Smile

CC1(OCC(O1)C=C2CC(OC2=O)CCCCCCCCCCOC3CCCCO3)C

DOS

IR

Vibrations