Geometry & MOs

Info

ID:	245647
PubChem CID:	99455763
Reduced:	FO2N4C20H27 (1)
Stoich.:	AB2C4D20E27 (1)
Weight, g/mol:	372.08487
ΔH_f, kcal/mol:	-91.4
Dipole, Da:	2.05
IP(EA), eV:	-8.5(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(2S)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-fluorobenzamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations