Geometry & MOs

Info

ID:	399677
PubChem CID:	135041671
Reduced:	BrNO3C15H22 (1)
Stoich.:	ABC3D15E22 (1)
Weight, g/mol:	248.131349
ΔH_f, kcal/mol:	-134.58
Dipole, Da:	5.15
IP(EA), eV:	-10.52(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2S)-1-phenylpyrrolidin-2-yl]benzonitrile

Drug info:

PubChemData

Smile

CCOC(=O)C(CCCBr)C1CCCCC(=O)C1C#N

DOS

IR

Vibrations