Geometry & MOs

Info

ID:	332726
PubChem CID:	127251036
Reduced:	O3N6C24H28 (1)
Stoich.:	A3B6C24D28 (1)
Weight, g/mol:	431.142739
ΔH_f, kcal/mol:	-45.67
Dipole, Da:	1.21
IP(EA), eV:	-9.03(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-ethyl-3-methylpyrazol-4-yl)sulfonyl-2-[6-(3-fluorophenyl)pyrazin-2-yl]morpholine

Drug info:

PubChemData

Smile

CC1=C(C(=NC(=N1)N)C)CCC(=O)N2CCOC(C2)C3=NC(=CN=C3)C4=CC(=CC=C4)OC

DOS

IR

Vibrations