Geometry & MOs

Info

ID:	303749
PubChem CID:	124490129
Reduced:	O3C10H12 (1)
Stoich.:	A3B10C12 (1)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	-118.46
Dipole, Da:	2.2
IP(EA), eV:	-9.17(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(S)-phenyl-[(3S)-1-propan-2-ylpyrrolidin-3-yl]methanol

Drug info:

PubChemData

Smile

C[C@H]1[C@@H]([C@@H](C2=CC=CC=C2O1)O)O

DOS

IR

Vibrations