Geometry & MOs

Info

ID:	357438
PubChem CID:	127294071
Reduced:	O2F3N4C18H19 (1)
Stoich.:	A2B3C4D18E19 (1)
Weight, g/mol:	385.200156
ΔH_f, kcal/mol:	-146.24
Dipole, Da:	4.44
IP(EA), eV:	-8.91(-1.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN2CCC(C2C1)NC(=O)C3=CC=C(C=C3)C4=NOC(=N4)C(F)(F)F

DOS

IR

Vibrations