Geometry & MOs

Info

ID:	180824
PubChem CID:	76691389
Reduced:	OC12H22 (1)
Stoich.:	AB12C22 (1)
Weight, g/mol:	449.18421
ΔH_f, kcal/mol:	-89.95
Dipole, Da:	2.27
IP(EA), eV:	-9.89(2.98)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

None

Drug info:

PubChemData

Smile

CC1(CCCC2(C1CCC2O)C)C

DOS

IR

Vibrations