Geometry & MOs

Info

ID:	178336
PubChem CID:	76311655
Reduced:	N2O6C33H46 (1)
Stoich.:	A2B6C33D46 (1)
Weight, g/mol:	549.356657
ΔH_f, kcal/mol:	-269.91
Dipole, Da:	10.31
IP(EA), eV:	-9.16(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[8-(4-tert-butylphenyl)octylamino]-[4-(dimethylamino)anilino]methylidene]-2,2-dimethyl-1,3-dioxane-4,6-dione

Drug info:

PubChemData

Smile

CC1(OC(=O)C(=C(NCCCCCCCCC2=CC=C(C=C2)C(C)(C)C)NC3=C(C=C(C=C3)OC)OC)C(=O)O1)C

DOS

IR

Vibrations