Geometry & MOs

Info

ID:	402474
PubChem CID:	135056132
Reduced:	O2C13H18 (1)
Stoich.:	A2B13C18 (1)
Weight, g/mol:	240.151415
ΔH_f, kcal/mol:	-41.38
Dipole, Da:	3.15
IP(EA), eV:	-9.28(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aZ,5Z,9aR)-9a-methyl-4-phenyl-3,7,8,9-tetrahydro-1H-cycloocta[c]furan

Drug info:

PubChemData

Smile

CC(=O)C1=CCC(=C)[C@H]2COC[C@]2(C1)C

DOS

IR

Vibrations