Geometry & MOs

Info

ID:	203497
PubChem CID:	79838344
Reduced:	O3C14H18 (1)
Stoich.:	A3B14C18 (1)
Weight, g/mol:	234.125594
ΔH_f, kcal/mol:	-121.11
Dipole, Da:	3.67
IP(EA), eV:	-8.65(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(9R)-7,7-dimethyl-3,4,8,9-tetrahydro-2H-cyclopenta[h][1,5]benzodioxepin-9-ol

Drug info:

PubChemData

Smile

CC1(CC(C2=CC3=C(C=C21)OCCCO3)O)C

DOS

IR

Vibrations