Geometry & MOs

Info

ID:	312600
PubChem CID:	126606748
Reduced:	ON2C26H32 (1)
Stoich.:	AB2C26D32 (1)
Weight, g/mol:	259.120843
ΔH_f, kcal/mol:	4.86
Dipole, Da:	3.01
IP(EA), eV:	-7.94(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1E,3E)-3-(dimethylamino)hexa-1,3,5-trienoxy]benzoic acid

Drug info:

PubChemData

Smile

CC\1(C2=CC=CC=C2N(/C1=C/C(=O)/C=C/3\C(C4(CC=CC=C4N3C)C)(C)C)C)C

DOS

IR

Vibrations