Geometry & MOs

Info

ID:	245594
PubChem CID:	99455508
Reduced:	N2O2F3C23H27 (1)
Stoich.:	A2B2C3D23E27 (1)
Weight, g/mol:	420.202463
ΔH_f, kcal/mol:	-216.5
Dipole, Da:	5.26
IP(EA), eV:	-9.2(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-[(2R,6R)-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)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations