Geometry & MOs

Info

ID:	419867
PubChem CID:	135109453
Reduced:	ClO2N4C19H21 (1)
Stoich.:	AB2C4D19E21 (1)
Weight, g/mol:	279.158292
ΔH_f, kcal/mol:	-40.54
Dipole, Da:	5.61
IP(EA), eV:	-9.22(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-(1H-pyrazol-4-yl)methanone

Drug info:

PubChemData

Smile

CN([C@@H]1C[C@@H]2CC(=O)NC[C@@H]2C1)C(=O)C3=CC(=NN3)C4=CC=C(C=C4)Cl

DOS

IR

Vibrations