Geometry & MOs

Info

ID:	303382
PubChem CID:	124489609
Reduced:	OSN5C11H19 (1)
Stoich.:	ABC5D11E19 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-6.47
Dipole, Da:	4.52
IP(EA), eV:	-8.94(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S)-4-amino-1-[(2R,5S)-2,5-dimethylmorpholin-4-yl]-4-phenylbutan-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N1CCCC1)SC2=NN=C(N2C)CN

DOS

IR

Vibrations