Geometry & MOs

Info

ID:	391197
PubChem CID:	135003511
Reduced:	N2O4C13H20 (1)
Stoich.:	A2B4C13D20 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-205.02
Dipole, Da:	2.43
IP(EA), eV:	-10.54(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(E)-1-(tert-butylamino)-4-(4-methylphenyl)-1-oxobut-3-en-2-yl] acetate

Drug info:

PubChemData

Smile

CCOC(=O)CCCC1CCC2(C1)C(=O)NC(=O)N2

DOS

IR

Vibrations