Geometry & MOs

Info

ID:	312010
PubChem CID:	126600801
Reduced:	NO4C7H8 (2)
Stoich.:	AB4C7D8 (2)
Weight, g/mol:	219.089543
ΔH_f, kcal/mol:	-226.15
Dipole, Da:	7.76
IP(EA), eV:	-9.54(-1.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyano-2-propan-2-ylphenoxy)acetic acid

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(=O)N2CC[C@@H]([C@H]2C(=O)O)O)[N+](=O)[O-])OC

DOS

IR

Vibrations