Geometry & MOs

Info

ID:	1855
PubChem CID:	5211
Reduced:	O3C23H32 (1)
Stoich.:	A3B23C32 (1)
Weight, g/mol:	356.235145
ΔH_f, kcal/mol:	-162.61
Dipole, Da:	1.7
IP(EA), eV:	-8.74(0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

9,13,17,17-tetramethyl-4,12-dioxapentacyclo[11.7.1.01,16.05,21.06,11]henicosa-6,8,10-trien-7-ol

Drug info:

PubChemData

Smile

CC1=CC(=C2C3C4C(CCC5C4(CCCC5(C)C)CCO3)(OC2=C1)C)O

DOS

IR

Vibrations