Geometry & MOs

Info

ID:	27127
PubChem CID:	814753
Reduced:	OSN2C20H22 (1)
Stoich.:	ABC2D20E22 (1)
Weight, g/mol:	338.145285
ΔH_f, kcal/mol:	13.72
Dipole, Da:	4.15
IP(EA), eV:	-8.14(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(1-methylindol-3-yl)-1-pyrrolidin-1-yl-3-thiophen-2-ylpropan-1-one

Drug info:

PubChemData

Smile

CN1C=C(C2=CC=CC=C21)[C@@H](CC(=O)N3CCCC3)C4=CC=CS4

DOS

IR

Vibrations