Geometry & MOs

Info

ID:	245637
PubChem CID:	99455712
Reduced:	ON2C10H14 (2)
Stoich.:	AB2C10D14 (2)
Weight, g/mol:	423.233348
ΔH_f, kcal/mol:	-37.35
Dipole, Da:	1.45
IP(EA), eV:	-9.11(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,4-difluorobenzoyl)-N-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)C2=CC=C(C=C2)CN3C=CC=N3

DOS

IR

Vibrations