Geometry & MOs

Info

ID:	189768
PubChem CID:	77902379
Reduced:	O3N5C17H27 (1)
Stoich.:	A3B5C17D27 (1)
Weight, g/mol:	349.200156
ΔH_f, kcal/mol:	-60.66
Dipole, Da:	6.0
IP(EA), eV:	-8.73(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-acetyl-3,5-dimethylpyrazol-1-yl)-1-(1-hydroxy-3-methoxy-7-azaspiro[3.5]nonan-7-yl)ethanone

Drug info:

PubChemData

Smile

COCC1CC(NN1)CNC(=O)C2CNNC2C3=CC(=CC=C3)OC

DOS

IR

Vibrations