Geometry & MOs

Info

ID:	407366
PubChem CID:	135079944
Reduced:	NOC15H25 (1)
Stoich.:	ABC15D25 (1)
Weight, g/mol:	207.162314
ΔH_f, kcal/mol:	-27.89
Dipole, Da:	3.73
IP(EA), eV:	-8.67(0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-hept-3-ynylpyrrolidin-2-yl]acetaldehyde

Drug info:

PubChemData

Smile

CCCCCCC#CCN1CCC[C@H]1CC=O

DOS

IR

Vibrations