Geometry & MOs

Info

ID:	245610
PubChem CID:	99455595
Reduced:	O3N4C19H26 (1)
Stoich.:	A3B4C19D26 (1)
Weight, g/mol:	398.197235
ΔH_f, kcal/mol:	-101.32
Dipole, Da:	3.67
IP(EA), eV:	-9.14(-0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-5-methoxy-4-propoxybenzamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)CC2=NNC(=O)C3=CC=CC=C32

DOS

IR

Vibrations