Geometry & MOs

Info

ID:	146272
PubChem CID:	53662663
Reduced:	N2O7C11H17 (1)
Stoich.:	A2B7C11D17 (1)
Weight, g/mol:	291.204573
ΔH_f, kcal/mol:	-250.77
Dipole, Da:	3.89
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.764952
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]propanoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC(=O)O[N+]1(C(=O)CCC1=O)O

DOS

IR

Vibrations