Geometry & MOs

Info

ID:	332794
PubChem CID:	127251218
Reduced:	FO3N5C22H24 (1)
Stoich.:	AB3C5D22E24 (1)
Weight, g/mol:	433.130553
ΔH_f, kcal/mol:	-70.09
Dipole, Da:	2.41
IP(EA), eV:	-9.52(-0.87)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[3-(3-chlorophenyl)pyrazin-2-yl]morpholin-4-yl]-(5-methyl-1H-indazol-3-yl)methanone

Drug info:

PubChemData

Smile

CC(C)C1=NN=C(O1)CCC(=O)N2CCOC(C2)C3=NC=CN=C3C4=CC=CC=C4F

DOS

IR

Vibrations