Geometry & MOs

Info

ID:	399322
PubChem CID:	135039630
Reduced:	O2C17H24 (1)
Stoich.:	A2B17C24 (1)
Weight, g/mol:	212.120115
ΔH_f, kcal/mol:	-90.16
Dipole, Da:	1.06
IP(EA), eV:	-9.21(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,5,7-trimethyl-4,5-dihydrobenzo[e][1]benzofuran

Drug info:

PubChemData

Smile

CCO[C@]1(CC(=C([C@@H]1O)C)CCC2=CC=CC=C2)C

DOS

IR

Vibrations