Geometry & MOs

Info

ID:	81911
PubChem CID:	49855340
Reduced:	NO2C17H19 (1)
Stoich.:	AB2C17D19 (1)
Weight, g/mol:	274.060549
ΔH_f, kcal/mol:	-9.48
Dipole, Da:	2.33
IP(EA), eV:	-9.57(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[2-(trifluoromethyl)phenyl]ethynyl]benzaldehyde

Drug info:

PubChemData

Smile

CC(C)(C(C1=CC=CC=C1)O)/C(=N/O)/C2=CC=CC=C2

DOS

IR

Vibrations