Geometry & MOs

Info

ID:	396166
PubChem CID:	135027561
Reduced:	O2N3H21C25 (1)
Stoich.:	A2B3C21D25 (1)
Weight, g/mol:	216.063388
ΔH_f, kcal/mol:	4.67
Dipole, Da:	5.32
IP(EA), eV:	-8.36(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,8R,9S)-9-hydroxy-4,4-dimethyl-3,5,7,11-tetraoxatricyclo[6.3.0.02,6]undecan-10-one

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C3(C1=O)CC4=CC=CC=C4NC35C6=CC=CC=C6N(C5=O)C

DOS

IR

Vibrations