Geometry & MOs

Info

ID:

165440

PubChem CID:

74549162

Reduced:

BrON5C16H19 (1)

Stoich.:

ABC5D16E19 (1)

Weight, g/mol:

164.107539

ΔHf, kcal/mol:

30.42

Dipole, Da:

3.66

IP(EA), eV:

 0.0(0.0)

Spin(Sz, S2):

 0.500000, 1.153629

Charge, e:

 1

Chem-info

IUPAC name:

4-pyrrolidin-1-ium-2-ylphenol

Drug info:

PubChemData

Smile

C1CN(CC[NH2+]1)CCN2C=NC3=C4C=C(C=CC4=NC3C2=O)Br

DOS

IR

Vibrations