Geometry & MOs

Info

ID:	40072
PubChem CID:	8143524
Reduced:	ON2C22H22 (1)
Stoich.:	AB2C22D22 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	69.75
Dipole, Da:	3.42
IP(EA), eV:	-8.75(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(pyrrolidin-1-ylmethyl)-1,3-benzodioxol-5-ol

Drug info:

PubChemData

Smile

C/C(=N\NC(=O)[C@@H]1C[C@H]1C2=CC=CC=C2)/C=C/C=C/C3=CC=CC=C3

DOS

IR

Vibrations