Geometry & MOs

Info

ID:	414545
PubChem CID:	135087504
Reduced:	NO5C21H31 (1)
Stoich.:	AB5C21D31 (1)
Weight, g/mol:	344.173607
ΔH_f, kcal/mol:	-233.34
Dipole, Da:	8.15
IP(EA), eV:	-8.72(0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[3-(3-methoxyphenoxy)azetidine-1-carbonyl]-1-prop-2-enylpiperidin-2-one

Drug info:

PubChemData

Smile

CCC[C@@]1(CN(CC[C@H]1O)C(=O)C(C)(C)OC2=CC=CC(=C2C)C)C(=O)O

DOS

IR

Vibrations