Geometry & MOs

Info

ID:	332728
PubChem CID:	127251038
Reduced:	SO4N5C21H25 (1)
Stoich.:	AB4C5D21E25 (1)
Weight, g/mol:	447.22704
ΔH_f, kcal/mol:	-65.71
Dipole, Da:	8.2
IP(EA), eV:	-8.82(-0.75)
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-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CCN1C=C(C(=N1)C)S(=O)(=O)N2CCOC(C2)C3=NC(=CN=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations