Geometry & MOs

Info

ID:	306829
PubChem CID:	125258697
Reduced:	FON2C13H15 (1)
Stoich.:	ABC2D13E15 (1)
Weight, g/mol:	343.16444
ΔH_f, kcal/mol:	-57.33
Dipole, Da:	3.07
IP(EA), eV:	-9.36(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(2S,3aS,7aS)-5-(1,2-oxazole-5-carbonyl)-2-(pyrazol-1-ylmethyl)-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridin-1-yl]ethanone

Drug info:

PubChemData

Smile

CC(=O)N[C@H]1[C@H]2CNC[C@@H]2C3=C1C=CC=C3F

DOS

IR

Vibrations