Geometry & MOs

Info

ID:	176539
PubChem CID:	76064092
Reduced:	N3O5C28H51 (1)
Stoich.:	A3B5C28D51 (1)
Weight, g/mol:	215.115758
ΔH_f, kcal/mol:	-253.68
Dipole, Da:	6.27
IP(EA), eV:	-8.36(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2,2-diethyl-1,3-dioxocane-4,8-dione

Drug info:

PubChemData

Smile

CCCCNC(=O)C(C)(CC(C(CC(C)C(C)C)N)O)C1=CC(=C(C=C1)OCCN)OCCCOC

DOS

IR

Vibrations