Geometry & MOs

Info

ID:	136126
PubChem CID:	51984386
Reduced:	ON2C18H28 (1)
Stoich.:	AB2C18D28 (1)
Weight, g/mol:	289.227989
ΔH_f, kcal/mol:	-58.78
Dipole, Da:	3.88
IP(EA), eV:	-8.84(0.35)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

2,2-dimethyl-N-[(2R)-2-(4-methylphenyl)-2-pyrrolidin-1-ium-1-ylethyl]propanamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)[C@@H](CNC(=O)C(C)(C)C)N2CCCC2

DOS

IR

Vibrations