Geometry & MOs

Info

ID:	25813
PubChem CID:	631015
Reduced:	NO4C20H23 (1)
Stoich.:	AB4C20D23 (1)
Weight, g/mol:	399.204573
ΔH_f, kcal/mol:	-111.85
Dipole, Da:	3.69
IP(EA), eV:	-7.94(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-hydroxy-8-(2-hydroxyacetyl)-6,9,13-trimethyl-5-oxa-7-azapentacyclo[10.8.0.02,9.04,8.013,18]icosa-6,14,17-trien-16-one

Drug info:

PubChemData

Smile

CN1CCC2=CC(=C(C3=C2C1CC4=CC(=C(C=C43)OC)O)OC)OC

DOS

IR

Vibrations