Geometry & MOs

Info

ID:	408585
PubChem CID:	135081352
Reduced:	LiN2O2C12H21 (1)
Stoich.:	AB2C2D12E21 (1)
Weight, g/mol:	226.168128
ΔH_f, kcal/mol:	-89.8
Dipole, Da:	5.65
IP(EA), eV:	-6.8(1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(methoxymethyl)-N-(2,3,4,5-tetrahydrooxepin-7-yl)pyrrolidin-1-amine

Drug info:

PubChemData

Smile

[Li+].COC[C@@H]1CCCN1[N-]C2=CCCCCO2

DOS

IR

Vibrations