Geometry & MOs

Info

ID:	259212
PubChem CID:	103162092
Reduced:	NO4C12H21 (1)
Stoich.:	AB4C12D21 (1)
Weight, g/mol:	299.173273
ΔH_f, kcal/mol:	-195.26
Dipole, Da:	5.0
IP(EA), eV:	-9.82(0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[2-(3-ethoxycyclobutyl)acetyl]amino]methyl]oxane-4-carboxylic acid

Drug info:

PubChemData

Smile

CC[C@@H](C(=O)O)NC(=O)CC1CC(C1)OCC

DOS

IR

Vibrations