Geometry & MOs

Info

ID:	416296
PubChem CID:	135089309
Reduced:	SO2N3C14H19 (1)
Stoich.:	AB2C3D14E19 (1)
Weight, g/mol:	303.158292
ΔH_f, kcal/mol:	-47.01
Dipole, Da:	3.9
IP(EA), eV:	-8.87(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecane-9-carbonyl)-1H-pyrrole-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=NC=C(N1)CN(CCO)C(=O)CCC2=CSC=C2

DOS

IR

Vibrations