Geometry & MOs

Info

ID:	407309
PubChem CID:	135079776
Reduced:	NO2H15C16 (1)
Stoich.:	AB2C15D16 (1)
Weight, g/mol:	227.131014
ΔH_f, kcal/mol:	18.89
Dipole, Da:	5.27
IP(EA), eV:	-9.63(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-(3-phenylprop-2-ynyl)pyrrolidin-2-yl]acetaldehyde

Drug info:

PubChemData

Smile

COC(=O)/C=C/CCCC#CC1=CC=C(C=C1)C#N

DOS

IR

Vibrations