Geometry & MOs

Info

ID:	221449
PubChem CID:	85273712
Reduced:	O2C21H24 (1)
Stoich.:	A2B21C24 (1)
Weight, g/mol:	308.17763
ΔH_f, kcal/mol:	-64.91
Dipole, Da:	4.71
IP(EA), eV:	-9.64(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(4-methylphenyl)-12-oxatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-1-yl]propan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)CC1C(C(OC1=O)C2=CC=CC=C2)C3=CC=CC=C3

DOS

IR

Vibrations