Geometry & MOs

Info

ID:	319278
PubChem CID:	126655518
Reduced:	FO5N6C27H27 (1)
Stoich.:	AB5C6D27E27 (1)
Weight, g/mol:	195.100777
ΔH_f, kcal/mol:	-134.76
Dipole, Da:	1.65
IP(EA), eV:	-8.88(-1.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,7aS)-6-(1H-pyrazol-5-yl)-2,3,4a,5,7,7a-hexahydro-[1,4]dioxino[2,3-c]pyrrole

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CC2=C(C1=O)C(=CC(=N2)C3=C(C=CC=C3F)C#N)N4C=CC(=N4)N5CCOC[C@@H]5CO

DOS

IR

Vibrations