Geometry & MOs

Info

ID:	59852
PubChem CID:	24899854
Reduced:	NO5C15H21 (1)
Stoich.:	AB5C15D21 (1)
Weight, g/mol:	283.105587
ΔH_f, kcal/mol:	-219.89
Dipole, Da:	5.23
IP(EA), eV:	-8.38(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-nitro-3-[[(4S)-2,2,4-trimethyl-1,3-dioxolan-4-yl]methoxy]phenol

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)O)OC[C@@]2(COC(O2)(C)C)C

DOS

IR

Vibrations