Geometry & MOs

Info

ID:	128136
PubChem CID:	51032357
Reduced:	NO6C15H19 (1)
Stoich.:	AB6C15D19 (1)
Weight, g/mol:	381.160764
ΔH_f, kcal/mol:	-182.29
Dipole, Da:	2.81
IP(EA), eV:	-10.7(-1.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[(4-nitrophenyl)-trimethylsilyloxymethyl]-3-oxobutanoate

Drug info:

PubChemData

Smile

CC(=O)C(C(C1=CC=C(C=C1)[N+](=O)[O-])O)C(=O)OC(C)(C)C

DOS

IR

Vibrations