Geometry & MOs

Info

ID:	332729
PubChem CID:	127251039
Reduced:	O3N5C25H29 (1)
Stoich.:	A3B5C25D29 (1)
Weight, g/mol:	435.207053
ΔH_f, kcal/mol:	-30.45
Dipole, Da:	4.99
IP(EA), eV:	-8.78(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-ethyl-4,5,6,7-tetrahydroindazol-3-yl)-[2-[6-(2-fluorophenyl)pyrazin-2-yl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2=CN=CC(=N2)C3CN(CCO3)C(=O)C4=NNC5=C4CCCCCC5

DOS

IR

Vibrations