Geometry & MOs

Info

ID:	133640
PubChem CID:	51567860
Reduced:	N2O3C14H22 (1)
Stoich.:	A2B3C14D22 (1)
Weight, g/mol:	399.204573
ΔH_f, kcal/mol:	-133.51
Dipole, Da:	4.28
IP(EA), eV:	-8.76(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-1-[2-[4-(1-adamantyl)phenoxy]acetyl]-4-hydroxypyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=CC(=O)N1CCOC)NC[C@H]2CCCO2

DOS

IR

Vibrations