Geometry & MOs

Info

ID:	45919
PubChem CID:	10519085
Reduced:	N3O3C17H17 (1)
Stoich.:	A3B3C17D17 (1)
Weight, g/mol:	311.118899
ΔH_f, kcal/mol:	-2.04
Dipole, Da:	2.63
IP(EA), eV:	-8.86(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-nitrophenyl) 2-[tert-butyl(dimethyl)silyl]oxyacetate

Drug info:

PubChemData

Smile

CC(C)(C)ON/C(=C/1\C(=O)C=CC=N1)/C2=C(C=CC(=C2)C#N)O

DOS

IR

Vibrations