Geometry & MOs

Info

ID:	327226
PubChem CID:	126689283
Reduced:	FN2O3C12H13 (1)
Stoich.:	AB2C3D12E13 (1)
Weight, g/mol:	255.090686
ΔH_f, kcal/mol:	-82.18
Dipole, Da:	2.53
IP(EA), eV:	-9.91(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(4-fluorophenyl)-4-nitropentanoate

Drug info:

PubChemData

Smile

CC1(CCC(=O)N1C)C2=CC(=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations