Geometry & MOs

Info

ID:	332101
PubChem CID:	127250387
Reduced:	ClO3N4H21C24 (1)
Stoich.:	AB3C4D21E24 (1)
Weight, g/mol:	418.211724
ΔH_f, kcal/mol:	-9.94
Dipole, Da:	2.59
IP(EA), eV:	-8.98(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4,5,6,7,8,9-hexahydro-1H-cycloocta[c]pyrazol-3-yl-[2-(5-pyrimidin-5-ylpyridin-2-yl)morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CN=C(C=C2)C3CN(CCO3)C(=O)C4=CN5C=C(C=CC5=N4)Cl

DOS

IR

Vibrations