Geometry & MOs

Info

ID:	361731
PubChem CID:	127304547
Reduced:	SN3O4C17H27 (1)
Stoich.:	AB3C4D17E27 (1)
Weight, g/mol:	359.232125
ΔH_f, kcal/mol:	-159.26
Dipole, Da:	5.44
IP(EA), eV:	-8.75(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1-tert-butyl-5-methylpyrazol-3-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)CS(=O)(=O)C3CCCC3)C

DOS

IR

Vibrations