Geometry & MOs

Info

ID:	179722
PubChem CID:	76522311
Reduced:	N2O4C11H17 (1)
Stoich.:	A2B4C11D17 (1)
Weight, g/mol:	242.126657
ΔH_f, kcal/mol:	-142.72
Dipole, Da:	2.51
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.760483
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl-(8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl)carbamic acid

Drug info:

PubChemData

Smile

CC(C)(C)N(C1C2N(C1=O)CCCO2)C(=O)[O-]

DOS

IR

Vibrations