Geometry & MOs

Info

ID:	380126
PubChem CID:	134965065
Reduced:	O2N3C13H20 (1)
Stoich.:	A2B3C13D20 (1)
Weight, g/mol:	184.089958
ΔH_f, kcal/mol:	-67.51
Dipole, Da:	6.34
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755211
Charge, e:	0

Chem-info

IUPAC name:

(3aS,4R,7aS)-4-fluoro-7a-methyl-2,3,3a,4,6,7-hexahydroindene-1,5-dione

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[N+]1=CCC[C@H]1CN2C=CN=C2

DOS

IR

Vibrations