Geometry & MOs

Info

ID:	439116
PubChem CID:	135228880
Reduced:	N3O3C32H47 (1)
Stoich.:	A3B3C32D47 (1)
Weight, g/mol:	177.058992
ΔH_f, kcal/mol:	-80.57
Dipole, Da:	3.43
IP(EA), eV:	-8.13(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-fluoro-2-[1-(methylideneamino)ethenyl]benzaldehyde

Drug info:

PubChemData

Smile

CCCC(CCN)N=C/C(=C\N)/C1=C(C=C(C(=C1)CC(=C)C(C)(C)C)/C(=C/C(=C)/C(=C\C)/C(=O)O)/C)OC

DOS

IR

Vibrations