Geometry & MOs

Info

ID:	59977
PubChem CID:	26513809
Reduced:	F2N2O3C15H23 (1)
Stoich.:	A2B2C3D15E23 (1)
Weight, g/mol:	419.200454
ΔH_f, kcal/mol:	-202.23
Dipole, Da:	5.19
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.790997
Charge, e:	1

Chem-info

IUPAC name:

2-[(2S)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-ium-1-yl]-N-(2-methoxyethyl)-N-(thiophen-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

C[C@H](COC)NC(=O)C[NH+](C)CC1=CC=C(C=C1)OC(F)F

DOS

IR

Vibrations