Geometry & MOs

Info

ID:	375048
PubChem CID:	131465361
Reduced:	N2O2F3H7C8 (1)
Stoich.:	A2B2C3D7E8 (1)
Weight, g/mol:	201.078979
ΔH_f, kcal/mol:	-211.39
Dipole, Da:	1.82
IP(EA), eV:	-9.63(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5Z)-5-phenacylidenepyrrolidin-2-one

Drug info:

PubChemData

Smile

COC(=O)C1=NC(=C(C=C1)C(F)(F)F)N

DOS

IR

Vibrations