Geometry & MOs

Info

ID:	220454
PubChem CID:	85195418
Reduced:	OC7H9 (2)
Stoich.:	AB7C9 (2)
Weight, g/mol:	218.13068
ΔH_f, kcal/mol:	-42.53
Dipole, Da:	3.35
IP(EA), eV:	-9.97(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-oxahexacyclo[7.5.1.03,13.05,12.07,11.010,14]pentadecan-1-ol

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC2C3CC(C2C1=O)CC3=O

DOS

IR

Vibrations