Geometry & MOs

Info

ID:	262260
PubChem CID:	103280620
Reduced:	NO2C7H9 (2)
Stoich.:	AB2C7D9 (2)
Weight, g/mol:	263.132157
ΔH_f, kcal/mol:	-95.54
Dipole, Da:	7.93
IP(EA), eV:	-10.0(-1.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-(2-fluorophenyl)-N-[(3-hydroxycyclopentyl)methyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)[N+](=O)[O-])C(=O)NCC2CCC(C2)O

DOS

IR

Vibrations