Geometry & MOs

Info

ID:	51788
PubChem CID:	12014529
Reduced:	NOC2H3 (3)
Stoich.:	ABC2D3 (3)
Weight, g/mol:	407.282429
ΔH_f, kcal/mol:	-51.73
Dipole, Da:	3.85
IP(EA), eV:	-9.94(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (1R,2S,3R)-2-[benzyl-[(2S)-1-phenylpropan-2-yl]amino]-3-methylcyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

C1=C[C@H]([C@H]([C@H]([C@@H]1N=[N+]=[N-])O)O)O

DOS

IR

Vibrations