Geometry & MOs

Info

ID:	190403
PubChem CID:	77998232
Reduced:	N4O4C31H34 (1)
Stoich.:	A4B4C31D34 (1)
Weight, g/mol:	542.217231
ΔH_f, kcal/mol:	-62.87
Dipole, Da:	4.87
IP(EA), eV:	-8.23(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[6-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-tri(propan-2-yl)silyloxy-4,5-dihydropyrazolo[3,4-b]pyridin-5-yl]carbamic acid

Drug info:

PubChemData

Smile

CC(C)OC1=C(C=C(C=C1)C(=O)NC(CCO)CC2=CC=C(C=C2)C3CN4C=CC=C(C4=N3)C=CCO)C#N

DOS

IR

Vibrations