Geometry & MOs

Info

ID:	367629
PubChem CID:	127325119
Reduced:	O2N6C19H26 (1)
Stoich.:	A2B6C19D26 (1)
Weight, g/mol:	385.178376
ΔH_f, kcal/mol:	-25.28
Dipole, Da:	5.93
IP(EA), eV:	-9.45(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]-(4,5-dimethyl-1H-pyrazol-3-yl)methanone

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2C(CCC(=O)N2C)C(=O)NC3CCCC4=C3C=NN4C

DOS

IR

Vibrations