Geometry & MOs

Info

ID:	138654
PubChem CID:	52402417
Reduced:	F2N2O3H14C17 (1)
Stoich.:	A2B2C3D14E17 (1)
Weight, g/mol:	317.162708
ΔH_f, kcal/mol:	-101.77
Dipole, Da:	5.38
IP(EA), eV:	-9.21(-1.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3aS,7aS)-1-(2-phenoxyacetyl)-2,3,3a,4,5,6,7,7a-octahydroindole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)N2CCCC3=C2C(=CC(=C3)F)F

DOS

IR

Vibrations