Geometry & MOs

Info

ID:	329597
PubChem CID:	126738867
Reduced:	O3N4C12H22 (1)
Stoich.:	A3B4C12D22 (1)
Weight, g/mol:	319.178358
ΔH_f, kcal/mol:	-93.29
Dipole, Da:	4.18
IP(EA), eV:	-9.58(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

prop-2-enyl 2,3-ditert-butyl-5-nitrobenzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCO[C@@H](C1)CCCN=[N+]=[N-]

DOS

IR

Vibrations