Geometry & MOs

Info

ID:	445285
PubChem CID:	135265860
Reduced:	OF2N3C22H35 (1)
Stoich.:	AB2C3D22E35 (1)
Weight, g/mol:	251.131014
ΔH_f, kcal/mol:	-126.32
Dipole, Da:	4.58
IP(EA), eV:	-8.87(0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[4-(cyclopenten-1-yl)phenyl]methyl]-1H-pyridin-2-one

Drug info:

PubChemData

Smile

CCC(/C(=C/C)/C=C\C/C(=C(/C=C(\C)/F)\F)/C)NCC(=O)N1CCN(CC1)C

DOS

IR

Vibrations