Geometry & MOs

Info

ID:	55168
PubChem CID:	17389848
Reduced:	ON2C12H24 (1)
Stoich.:	AB2C12D24 (1)
Weight, g/mol:	316.199822
ΔH_f, kcal/mol:	-67.41
Dipole, Da:	2.22
IP(EA), eV:	-8.68(2.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)CC2CCCCN2

DOS

IR

Vibrations