Geometry & MOs

Info

ID:	391174
PubChem CID:	135003368
Reduced:	NO7C20H29 (1)
Stoich.:	AB7C20D29 (1)
Weight, g/mol:	505.278801
ΔH_f, kcal/mol:	-280.25
Dipole, Da:	3.89
IP(EA), eV:	-9.65(-1.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dimethyl (2Z)-2-[diethylamino-(2-nitrophenyl)methylidene]-3-(2,4,4-trimethylpentan-2-ylcarbamoyl)butanedioate

Drug info:

PubChemData

Smile

CCOC(=O)C1=CC(=C(C(=NC(C)(C)CC(C)(C)C)O1)C(=O)OC)C(=O)OC

DOS

IR

Vibrations