Geometry & MOs

Info

ID:	418223
PubChem CID:	135103897
Reduced:	ClO2N3C18H24 (1)
Stoich.:	AB2C3D18E24 (1)
Weight, g/mol:	329.140927
ΔH_f, kcal/mol:	-65.62
Dipole, Da:	3.46
IP(EA), eV:	-9.32(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-methyl-9-(1-methylpyrazol-4-yl)sulfonyl-1-oxa-9-azaspiro[5.5]undecan-4-ol

Drug info:

PubChemData

Smile

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)N(CCO)CC2=CN=CN2C

DOS

IR

Vibrations