Geometry & MOs

Info

ID:	245595
PubChem CID:	99455509
Reduced:	N2O2F3C23H27 (1)
Stoich.:	A2B2C3D23E27 (1)
Weight, g/mol:	382.202321
ΔH_f, kcal/mol:	-217.24
Dipole, Da:	5.05
IP(EA), eV:	-9.19(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chloro-3-methylphenoxy)-N-[(2R)-2-[(2R,6S)-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)C2=CC=CC=C2C3=CC=C(C=C3)C(F)(F)F

DOS

IR

Vibrations