Geometry & MOs

Info

ID:	25993
PubChem CID:	635324
Reduced:	OH5C8 (4)
Stoich.:	AB5C8 (4)
Weight, g/mol:	469.428365
ΔH_f, kcal/mol:	132.29
Dipole, Da:	13.4
IP(EA), eV:	-8.46(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[9,13,16-trimethyl-8-(6-methylheptan-2-yl)-18-azapentacyclo[14.3.1.01,13.04,12.05,9]icosan-18-yl]ethanone

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=C3C(=C(C4=CC=CC=C4O2)O)C(=C3C(=O)C5=CC=CC=C5)C(=O)C6=CC=CC=C6

DOS

IR

Vibrations