Geometry & MOs

Info

ID:	446296
PubChem CID:	135273854
Reduced:	O2C25H28 (1)
Stoich.:	A2B25C28 (1)
Weight, g/mol:	436.222289
ΔH_f, kcal/mol:	28.32
Dipole, Da:	4.16
IP(EA), eV:	-8.36(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-[2-methoxy-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-yl]-5-methylindazol-6-yl]piperidin-3-ol

Drug info:

PubChemData

Smile

C/C(=C/C=C/C=C/C=C/C(=C\C=C)/C=C/C1CC=C(C=C1)CC(=O)O)/C=C

DOS

IR

Vibrations