Geometry & MOs

Info

ID:	399815
PubChem CID:	135042897
Reduced:	OSn2F3C10H15 (1)
Stoich.:	AB2C3D10E15 (1)
Weight, g/mol:	231.125929
ΔH_f, kcal/mol:	-131.46
Dipole, Da:	3.68
IP(EA), eV:	-7.9(-2.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-acetylpyrrolidin-2-yl)-1-phenylethanone

Drug info:

PubChemData

Smile

CCCCCCC(/C(=C(\C(F)(F)F)/[Sn+])/[Sn+])O

DOS

IR

Vibrations