Geometry & MOs

Info

ID:	224600
PubChem CID:	85345210
Reduced:	OC19H30 (1)
Stoich.:	AB19C30 (1)
Weight, g/mol:	276.136159
ΔH_f, kcal/mol:	-57.91
Dipole, Da:	2.04
IP(EA), eV:	-9.08(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-formyl-2,2,6-trimethyloxan-3-yl) benzoate

Drug info:

PubChemData

Smile

CC(C)C(C=C(C)C)C(C(C)C)OCC1=CC=CC=C1

DOS

IR

Vibrations