Geometry & MOs

Info

ID:	391221
PubChem CID:	135003616
Reduced:	NOF2H8C12 (2)
Stoich.:	ABC2D8E12 (2)
Weight, g/mol:	217.110279
ΔH_f, kcal/mol:	-121.66
Dipole, Da:	6.76
IP(EA), eV:	-9.7(-1.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (3aR,8bS)-2,3,3a,8b-tetrahydro-1H-cyclopenta[b]indole-4-carboxylate

Drug info:

PubChemData

Smile

C1[C@H]([C@]1(C(=O)NC2=C(C(=C(C(=C2F)F)C#N)F)F)OCC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations