Geometry & MOs

Info

ID:	245593
PubChem CID:	99455503
Reduced:	N2O5C20H30 (1)
Stoich.:	A2B5C20D30 (1)
Weight, g/mol:	420.202463
ΔH_f, kcal/mol:	-194.98
Dipole, Da:	2.36
IP(EA), eV:	-8.85(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]propyl]-2-[4-(trifluoromethyl)phenyl]benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)[C@@H](C)CNC(=O)COC2=C(C=C(C=C2)C(=O)C)OC

DOS

IR

Vibrations