Geometry & MOs

Info

ID:	258305
PubChem CID:	103152798
Reduced:	BrN2O4C11H13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	216.183778
ΔH_f, kcal/mol:	-136.23
Dipole, Da:	7.28
IP(EA), eV:	-10.24(-1.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-methoxybutan-1-amine

Drug info:

PubChemData

Smile

COC(CC(=O)O)CNC(=O)C1=CC(=CN=C1)Br

DOS

IR

Vibrations