Geometry & MOs

Info

ID:	48859
PubChem CID:	11528407
Reduced:	HCl2C3F3 (1)
Stoich.:	AB2C3D3 (1)
Weight, g/mol:	165.042593
ΔH_f, kcal/mol:	-163.31
Dipole, Da:	2.49
IP(EA), eV:	-10.42(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-nitrophenyl)acetaldehyde

Drug info:

PubChemData

Smile

C(=C(\C(F)(F)F)/Cl)\Cl

DOS

IR

Vibrations