Geometry & MOs

Info

ID:	26004
PubChem CID:	635544
Reduced:	Br2O5C20H22 (1)
Stoich.:	A2B5C20D22 (1)
Weight, g/mol:	487.381415
ΔH_f, kcal/mol:	-195.54
Dipole, Da:	3.23
IP(EA), eV:	-8.84(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,13,17-trimethyl-18-(6-methylheptan-2-yl)-9-azahexacyclo[11.11.0.02,10.03,8.014,22.017,21]tetracosa-2(10),3,5,7-tetraen-24-one

Drug info:

PubChemData

Smile

CC1(C(=CC2=C3C(=C(C(=C2O1)CCC(=O)O)OC)C=C(C(O3)(C)C)Br)Br)C

DOS

IR

Vibrations