Geometry & MOs

Info

ID:	146062
PubChem CID:	53629402
Reduced:	N3H23C26 (1)
Stoich.:	A3B23C26 (1)
Weight, g/mol:	458.248851
ΔH_f, kcal/mol:	124.9
Dipole, Da:	7.24
IP(EA), eV:	-8.25(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-phenylmethoxy-5-[(2S)-1-tri(propan-2-yl)silyloxypropan-2-yl]oxybenzoic acid

Drug info:

PubChemData

Smile

C1CC(=CC2=CN(C3=CC=CC=C32)CC4=CC=CC=C4)C(=NC1)C5=CN=CC=C5

DOS

IR

Vibrations