Geometry & MOs

Info

ID:	245607
PubChem CID:	99455590
Reduced:	FN2O3C23H29 (1)
Stoich.:	AB2C3D23E29 (1)
Weight, g/mol:	404.197904
ΔH_f, kcal/mol:	-136.91
Dipole, Da:	6.22
IP(EA), eV:	-8.93(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-benzyl-5-chloro-N-[(2R)-2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]propyl]-3-methylpyrazole-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@H](O1)C)[C@@H](C)CNC(=O)C2=CC=CC=C2OCC3=CC=C(C=C3)F

DOS

IR

Vibrations