Geometry & MOs

Info

ID:	330626
PubChem CID:	127248033
Reduced:	SN2O2C17H26 (1)
Stoich.:	AB2C2D17E26 (1)
Weight, g/mol:	341.210327
ΔH_f, kcal/mol:	-86.51
Dipole, Da:	3.54
IP(EA), eV:	-9.02(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-ethylindol-3-yl)-[3-hydroxy-3-(pyrrolidin-1-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CC(C)C1=CC(=CS1)C(=O)N2CCC(C2)(CN3CCCC3)O

DOS

IR

Vibrations