Geometry & MOs

Info

ID:	408212
PubChem CID:	135080973
Reduced:	NO2C11H11 (1)
Stoich.:	AB2C11D11 (1)
Weight, g/mol:	211.064471
ΔH_f, kcal/mol:	-39.08
Dipole, Da:	2.78
IP(EA), eV:	-10.27(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(3-fluorophenyl)-4-nitrobutanal

Drug info:

PubChemData

Smile

CC(=O)C1=CC=C(C=C1)[C@@H](CC#N)O

DOS

IR

Vibrations