Geometry & MOs

Info

ID:	148604
PubChem CID:	53788272
Reduced:	NO3C19H29 (1)
Stoich.:	AB3C19D29 (1)
Weight, g/mol:	319.214744
ΔH_f, kcal/mol:	-144.54
Dipole, Da:	4.52
IP(EA), eV:	-8.84(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,2R,4S)-4-[(1R)-1-hydroxy-1-phenyl-3-pyrrolidin-1-ylpropyl]cyclohexane-1,2-diol

Drug info:

PubChemData

Smile

C1CCN(C1)CC[C@@](C2CC[C@@H]([C@@H](C2)O)O)(C3=CC=CC=C3)O

DOS

IR

Vibrations