Geometry & MOs

Info

ID:	407365
PubChem CID:	135079943
Reduced:	FNO3H22C26 (1)
Stoich.:	ABC3D22E26 (1)
Weight, g/mol:	235.193614
ΔH_f, kcal/mol:	-61.02
Dipole, Da:	6.29
IP(EA), eV:	-9.28(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2S)-1-non-2-ynylpyrrolidin-2-yl]acetaldehyde

Drug info:

PubChemData

Smile

COC(=O)/C=C(/C1=CC=CC=C1)\OC2=CC=CC(=C2)C=N[C@@H]3CCC4=C3C(=CC=C4)F

DOS

IR

Vibrations