Geometry & MOs

Info

ID:	304578
PubChem CID:	124756332
Reduced:	ON7C14H19 (1)
Stoich.:	AB7C14D19 (1)
Weight, g/mol:	408.221817
ΔH_f, kcal/mol:	41.84
Dipole, Da:	2.12
IP(EA), eV:	-9.18(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2S,3S,3aR,4aR,5aR,6aR)-1-benzyl-3,5,5,6a-tetramethyl-1-oxo-2-phenyl-2,3a,4,4a,5a,6-hexahydrocyclopropa[f]phosphindol-3-ol

Drug info:

PubChemData

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C[C@@H](C(=O)NC1=CC=CC=N1)N2CCN(CC2)C3=NC=NN3

DOS

IR

Vibrations