Geometry & MOs

Info

ID:	148605
PubChem CID:	53788273
Reduced:	NO3C19H29 (1)
Stoich.:	AB3C19D29 (1)
Weight, g/mol:	319.214744
ΔH_f, kcal/mol:	-143.45
Dipole, Da:	2.08
IP(EA), eV:	-8.81(0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN(C1)CC[C@@]([C@H]2CC[C@H]([C@@H](C2)O)O)(C3=CC=CC=C3)O

DOS

IR

Vibrations