Geometry & MOs

Info

ID:	140583
PubChem CID:	52723268
Reduced:	NSO4C27H29 (1)
Stoich.:	ABC4D27E29 (1)
Weight, g/mol:	426.1181
ΔH_f, kcal/mol:	-113.69
Dipole, Da:	4.02
IP(EA), eV:	-8.72(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2-(3-bromo-2-methylindol-1-yl)-N-[2-(pyrrolidin-1-ium-1-ylmethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)[C@H](C2=CC=CC=C2)NC(=O)CCS(=O)(=O)C3=CC4=C(CCC4)C=C3

DOS

IR

Vibrations