Geometry & MOs

Info

ID:	439481
PubChem CID:	135229255
Reduced:	OH14C16 (2)
Stoich.:	AB14C16 (2)
Weight, g/mol:	476.325023
ΔH_f, kcal/mol:	55.56
Dipole, Da:	1.64
IP(EA), eV:	-8.63(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

bis(3-amino-2-ethylhexyl) 2-[(4-methoxyphenyl)methylidene]propanedioate

Drug info:

PubChemData

Smile

C/C=C/C1=CC=CC=C1OC2=CC=C(C=C2)C(=C)C3=CC=C(C=C3)OC4=CC=CC=C4/C=C/C

DOS

IR

Vibrations