Geometry & MOs

Info

ID:	126798
PubChem CID:	50979374
Reduced:	N3O5H17C19 (1)
Stoich.:	A3B5C17D19 (1)
Weight, g/mol:	283.225977
ΔH_f, kcal/mol:	-120.69
Dipole, Da:	6.74
IP(EA), eV:	-9.39(-1.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(azocan-1-yl)-N-[(3R,5S)-5-(hydroxymethyl)-1-methylpyrrolidin-3-yl]acetamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC=C(C2=O)C3CC(=O)N=C4C3=C(NN4CC(=O)O)C

DOS

IR

Vibrations