Geometry & MOs

Info

ID:	55169
PubChem CID:	17389849
Reduced:	N2O5C15H28 (1)
Stoich.:	A2B5C15D28 (1)
Weight, g/mol:	226.204513
ΔH_f, kcal/mol:	-250.7
Dipole, Da:	7.79
IP(EA), eV:	-9.57(0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,6S)-4-(azepan-2-ylmethyl)-2,6-dimethylmorpholine

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)CC2CCCCCN2.C(=O)(C(=O)O)O

DOS

IR

Vibrations