Geometry & MOs

Info

ID:	381705
PubChem CID:	134972511
Reduced:	H16C19 (1)
Stoich.:	A16B19 (1)
Weight, g/mol:	452.29266
ΔH_f, kcal/mol:	91.82
Dipole, Da:	0.84
IP(EA), eV:	-8.7(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1'R,4'S,5'R,9'S,10'R,13'S)-5,5',6,9',13'-pentamethylspiro[1,3-benzodioxole-2,14'-tetracyclo[11.2.1.01,10.04,9]hexadecane]-5'-carboxylate

Drug info:

PubChemData

Smile

CC1(C=C(C2=CC=CC=C21)C#CC3=CC=CC=C3)C

DOS

IR

Vibrations