Geometry & MOs

Info

ID:	50966
PubChem CID:	12013571
Reduced:	NO5C13H15 (1)
Stoich.:	AB5C13D15 (1)
Weight, g/mol:	422.282095
ΔH_f, kcal/mol:	-95.2
Dipole, Da:	5.04
IP(EA), eV:	-10.68(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2,6-ditert-butyl-4-methylphenyl) 3-(4-tert-butylphenyl)oxirane-2-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H]1[C@H](O1)C2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations