Geometry & MOs

Info

ID:	362852
PubChem CID:	127309681
Reduced:	SO2N4C20H28 (1)
Stoich.:	AB2C4D20E28 (1)
Weight, g/mol:	398.268176
ΔH_f, kcal/mol:	-48.92
Dipole, Da:	4.46
IP(EA), eV:	-8.84(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-(2-methyl-1H-indol-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

COCCN1CCCC1CNC(=O)N2CCCC2C3=NC4=CC=CC=C4S3

DOS

IR

Vibrations