Geometry & MOs

Info

ID:	50963
PubChem CID:	12013566
Reduced:	N2O5H22C25 (1)
Stoich.:	A2B5C22D25 (1)
Weight, g/mol:	270.125594
ΔH_f, kcal/mol:	-81.51
Dipole, Da:	3.31
IP(EA), eV:	-9.4(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2R,3R)-3-naphthalen-1-yloxirane-2-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2C(C(=O)/C(=C(/O)\OC)/C(C2(C#N)C#N)C3=CC=CC=C3)C(=O)OC

DOS

IR

Vibrations