Geometry & MOs

Info

ID:	324233
PubChem CID:	126677201
Reduced:	NO2C10H19 (2)
Stoich.:	AB2C10D19 (2)
Weight, g/mol:	715.317685
ΔH_f, kcal/mol:	-165.23
Dipole, Da:	3.57
IP(EA), eV:	-8.54(0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(2-tert-butyl-4-chloro-5-methylphenoxy)methyl]-6-[2-(oxan-2-yloxy)ethoxy]-1-tritylpyrazolo[3,4-b]pyridine

Drug info:

PubChemData

Smile

CC(C)N1C[C@H]([C@H](C1)OCCO[C@@]2(CN(C[C@@H]2OC)C(C)C)C=C)OC

DOS

IR

Vibrations