Geometry & MOs

Info

ID:	361722
PubChem CID:	127304537
Reduced:	N3O3C17H27 (1)
Stoich.:	A3B3C17D27 (1)
Weight, g/mol:	329.185175
ΔH_f, kcal/mol:	-122.33
Dipole, Da:	5.44
IP(EA), eV:	-8.85(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-cyclopropyl-1H-pyrazol-3-yl)-[2-[(3,5-dimethylpyrazol-1-yl)methyl]morpholin-4-yl]methanone

Drug info:

PubChemData

Smile

CC1=CC(=NN1CC2CN(CCO2)C(=O)CCC3CCCO3)C

DOS

IR

Vibrations