Geometry & MOs

Info

ID:	364306
PubChem CID:	127315405
Reduced:	SN2O3C14H16 (1)
Stoich.:	AB2C3D14E16 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-97.18
Dipole, Da:	9.41
IP(EA), eV:	-8.49(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1H-indol-5-yl)-1-(4-methylcyclohexyl)-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CS(=O)(=O)CCC1C(=O)NC2=CC3=C(C=C2)NC=C3

DOS

IR

Vibrations