Geometry & MOs

Info

ID:	48936
PubChem CID:	11528495
Reduced:	NC13H21 (1)
Stoich.:	AB13C21 (1)
Weight, g/mol:	192.078644
ΔH_f, kcal/mol:	17.47
Dipole, Da:	2.64
IP(EA), eV:	-9.14(1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,5S)-5-(hydroxymethyl)-2-phenyloxolan-3-one

Drug info:

PubChemData

Smile

CC1=C[C@]([C@H]2C[C@@H]1C2(C)C)(CC=C)N

DOS

IR

Vibrations