Geometry & MOs

Info

ID:	423364
PubChem CID:	135119377
Reduced:	N2O5C21H26 (1)
Stoich.:	A2B5C21D26 (1)
Weight, g/mol:	319.178358
ΔH_f, kcal/mol:	-139.88
Dipole, Da:	3.21
IP(EA), eV:	-8.72(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-hydroxy-4-methyl-1-oxa-9-azaspiro[5.5]undecan-9-yl)-2-(2-hydroxyphenyl)ethanone

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CC(=O)N2CCC3(CC2)C4=CC(=C(C=C4CCO3)OC)OC

DOS

IR

Vibrations