Geometry & MOs

Info

ID:	177184
PubChem CID:	76143780
Reduced:	NOSiC28H35 (1)
Stoich.:	ABCD28E35 (1)
Weight, g/mol:	448.224974
ΔH_f, kcal/mol:	-22.3
Dipole, Da:	1.11
IP(EA), eV:	-8.98(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-benzoyloxy-3a,5-dimethyl-3-oxo-2,4,5,6,7,8,9,9a-octahydro-1H-cyclopenta[8]annulen-9-yl)methyl benzoate

Drug info:

PubChemData

Smile

CC(=CC(CC1=CC=CC=C1)N[Si](C2=CC=CC=C2)(C3=CC=CC=C3)C(C)(C)C)CO

DOS

IR

Vibrations