Geometry & MOs

Info

ID:	245617
PubChem CID:	99455612
Reduced:	BrN2O3C19H29 (1)
Stoich.:	AB2C3D19E29 (1)
Weight, g/mol:	412.13616
ΔH_f, kcal/mol:	-133.06
Dipole, Da:	5.89
IP(EA), eV:	-8.96(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3-bromophenoxy)-N-[(2S)-2-[(2R,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)CCCOC2=CC(=CC=C2)Br

DOS

IR

Vibrations