Geometry & MOs

Info

ID:	323910
PubChem CID:	126676566
Reduced:	ON3C16H25 (1)
Stoich.:	AB3C16D25 (1)
Weight, g/mol:	451.147426
ΔH_f, kcal/mol:	-36.08
Dipole, Da:	4.29
IP(EA), eV:	-8.56(0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 3-[(2-tert-butyl-4-chloro-5-fluorophenoxy)methyl]-6-fluoropyrazolo[3,4-b]pyridine-1-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)CNC(=O)CN2CCN(CC2)C

DOS

IR

Vibrations