Geometry & MOs

Info

ID:	389773
PubChem CID:	134995160
Reduced:	C5N6O6H11 (1)
Stoich.:	A5B6C6D11 (1)
Weight, g/mol:	176.096617
ΔH_f, kcal/mol:	35.09
Dipole, Da:	4.16
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.771012
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-tert-butylphosphanylacetate

Drug info:

PubChemData

Smile

CCCN(CN(C[N-][N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]

DOS

IR

Vibrations