Geometry & MOs

Info

ID:	245616
PubChem CID:	99455610
Reduced:	N3O3C24H31 (1)
Stoich.:	A3B3C24D31 (1)
Weight, g/mol:	412.13616
ΔH_f, kcal/mol:	-108.24
Dipole, Da:	1.83
IP(EA), eV:	-8.82(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromophenoxy)-N-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]butanamide

Drug info:

PubChemData

Smile

C[C@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)[C@@H]2CC(=O)N(C2)C3=CC=CC4=CC=CC=C43

DOS

IR

Vibrations