Geometry & MOs

Info

ID:	245636
PubChem CID:	99455709
Reduced:	SN3O3C19H27 (1)
Stoich.:	AB3C3D19E27 (1)
Weight, g/mol:	356.221226
ΔH_f, kcal/mol:	-92.0
Dipole, Da:	5.09
IP(EA), eV:	-8.77(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]propyl]-4-(pyrazol-1-ylmethyl)benzamide

Drug info:

PubChemData

Smile

C[C@@H]1CN(C[C@@H](O1)C)[C@@H](C)CNC(=O)CC2=CSC(=N2)C3=CC=C(O3)C

DOS

IR

Vibrations