Geometry & MOs

Info

ID:	446292
PubChem CID:	135273840
Reduced:	O3N6C23H30 (1)
Stoich.:	A3B6C23D30 (1)
Weight, g/mol:	440.172752
ΔH_f, kcal/mol:	-42.74
Dipole, Da:	1.96
IP(EA), eV:	-8.85(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[6-(5-chloro-6-piperidin-4-ylindazol-1-yl)-2-methoxypyrimidin-4-yl]-2-oxa-5-azabicyclo[2.2.1]heptane

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1C2CCNCC2O)NC3=CC(=NC(=N3)OC)N4CC5CC4CO5)C=N

DOS

IR

Vibrations